CID 73907

Ethyl dichlorothiophosphate

Structural Information

Molecular Formula

C₂H₅Cl₂OPS

SMILES

CCOP(=S)(Cl)Cl

InChI

InChI=1S/C2H5Cl2OPS/c1-2-5-6(3,4)7/h2H2,1H3

InChIKey

SMODMOZAUKBGGM-UHFFFAOYSA-N

Compound name

dichloro-ethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 201
Patents: 177.91757 Da
Monoisotopic Mass: 3.1
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]+	178.924846	125.6
[M+Na]+	200.906788	135.8
[M-H]-	176.910294	125.8
[M+NH4]+	195.951393	148.5
[M+K]+	216.880728	132.1
[M+H-H2O]+	160.914830	121.7
[M+HCOO]-	222.915771	140.3
[M+CH3COO]-	236.931421	176.2
[M+Na-2H]-	198.892236	127.7
[M]+	177.91702142	131.5
[M]-	177.91811858	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe