RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0188393
RefMet name	Flusilazole
Systematic name	1-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole
Synonyms	PubChem Synonyms
Exact mass	315.100330 (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	C16H15F2N3Si	View other entries in RefMet with this formula
Molecular descriptors
Molfile	48685 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	FQKUGOMFVDPBIZ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[Si](Cn1cncn1)(c1ccc(cc1)F)c1ccc(cc1)F Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Halobenzenes
Sub Class	Fluorobenzenes
Distribution of Flusilazole 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 Flusilazole
External Links
Pubchem CID	73675
ChEBI ID	81922
KEGG ID	C18733
HMDB ID	HMDB0039815
Chemspider ID	66326
EPA CompTox	DTXCID704235
Spectral data for Flusilazole standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)