RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199163
RefMet name	Acetochlor
Systematic name	2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
Synonyms	PubChem Synonyms
Exact mass	269.118257 (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	C14H20ClNO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	52906 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	VTNQPKFIQCLBDU-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCc1cccc(C)c1N(COCC)C(=O)CCl Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Anilides
Sub Class	Anilides
Distribution of Acetochlor 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 Acetochlor
External Links
Pubchem CID	1988
ChEBI ID	2394
HMDB ID	HMDB0247910
EPA CompTox	DTXCID303848
Spectral data for Acetochlor standards
MassBank(EU)	View MS spectra