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

3
Annotation Hits: 1
References: 218
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]+	178.92485	125.6
[M+Na]+	200.90679	135.8
[M-H]-	176.91029	125.8
[M+NH4]+	195.95139	148.5
[M+K]+	216.88073	132.1
[M+H-H2O]+	160.91483	121.7
[M+HCOO]-	222.91577	140.3
[M+CH3COO]-	236.93142	176.2
[M+Na-2H]-	198.89224	127.7
[M]+	177.91702	131.5
[M]-	177.91812	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe