CID 17303

O-methyl dichlorothiophosphate

Structural Information

Molecular Formula

SMILES

COP(=S)(Cl)Cl

InChI

InChI=1S/CH3Cl2OPS/c1-4-5(2,3)6/h1H3

InChIKey

BJTWJPDCJVKDBK-UHFFFAOYSA-N

Compound name

dichloro-methoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 163.90193 Da
Monoisotopic Mass: 2.7
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]+	164.90921	121.0
[M+Na]+	186.89115	131.5
[M-H]-	162.89465	121.3
[M+NH4]+	181.93575	144.3
[M+K]+	202.86509	128.0
[M+H-H2O]+	146.89919	117.3
[M+HCOO]-	208.90013	135.9
[M+CH3COO]-	222.91578	173.3
[M+Na-2H]-	184.87660	123.5
[M]+	163.90138	126.4
[M]-	163.90248	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe