CID 4184170

Propylphosphonothioic dichloride

Structural Information

Molecular Formula

C₃H₇Cl₂PS

SMILES

CCCP(=S)(Cl)Cl

InChI

InChI=1S/C3H7Cl2PS/c1-2-3-6(4,5)7/h2-3H2,1H3

InChIKey

WELFPYZEJACWRM-UHFFFAOYSA-N

Compound name

dichloro-propyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 175.93831 Da
Monoisotopic Mass: 3.6
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]+	176.94559	127.6
[M+Na]+	198.92753	137.4
[M-H]-	174.93103	127.5
[M+NH4]+	193.97213	150.5
[M+K]+	214.90147	133.0
[M+H-H2O]+	158.93557	123.6
[M+HCOO]-	220.93651	141.6
[M+CH3COO]-	234.95216	177.4
[M+Na-2H]-	196.91298	128.9
[M]+	175.93776	132.4
[M]-	175.93886	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe