CID 114636

Demethyldichlorvos

Structural Information

Molecular Formula

C₃H₅Cl₂O₄P

SMILES

COP(=O)(O)OC=C(Cl)Cl

InChI

InChI=1S/C3H5Cl2O4P/c1-8-10(6,7)9-2-3(4)5/h2H,1H3,(H,6,7)

InChIKey

PFCDFSJUWNKQQI-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl methyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 20
Patents: 205.93025 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.93753	132.0
[M+Na]+	228.91947	141.8
[M-H]-	204.92297	130.4
[M+NH4]+	223.96407	152.5
[M+K]+	244.89341	138.8
[M+H-H2O]+	188.92751	128.4
[M+HCOO]-	250.92845	150.0
[M+CH3COO]-	264.94410	177.7
[M+Na-2H]-	226.90492	135.9
[M]+	205.92970	137.9
[M]-	205.93080	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe