CID 176943

Demethyl dichlorvos

Structural Information

Molecular Formula

C₂H₃Cl₂O₄P

SMILES

C(=C(Cl)Cl)OP(=O)(O)O

InChI

InChI=1S/C2H3Cl2O4P/c3-2(4)1-8-9(5,6)7/h1H,(H2,5,6,7)

InChIKey

MNRWIFMPVCLIDS-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 190
Patents: 191.9146 Da
Monoisotopic Mass: 0.3
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]+	192.921876	128.1
[M+Na]+	214.903818	137.9
[M-H]-	190.907324	125.3
[M+NH4]+	209.948423	148.4
[M+K]+	230.877758	134.2
[M+H-H2O]+	174.911860	125.0
[M+HCOO]-	236.912801	145.0
[M+CH3COO]-	250.928451	172.2
[M+Na-2H]-	212.889266	132.0
[M]+	191.91405142	131.7
[M]-	191.91514858	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe