RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0010175
RefMet name	Tetrachlorvinphos
Systematic name	(1Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate
Synonyms	PubChem Synonyms
Exact mass	363.899256 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H9Cl4O4P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	55059 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-
InChIKey	UBCKGWBNUIFUST-YHYXMXQVSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	COP(=O)(OC)O/C(=C\Cl)/c1cc(c(cc1Cl)Cl)Cl Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Benzenes
Sub Class	Other benzenes
Distribution of Tetrachlorvinphos in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Tetrachlorvinphos
External Links
Pubchem CID	5284462
ChEBI ID	35005
KEGG ID	C14513
EPA CompTox	DTXCID1032064
Spectral data for Tetrachlorvinphos standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)