CID 15410

3-chloropropanesulfonyl chloride

Structural Information

Molecular Formula

C₃H₆Cl₂O₂S

SMILES

C(CS(=O)(=O)Cl)CCl

InChI

InChI=1S/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2

InChIKey

GPKDGVXBXQTHRY-UHFFFAOYSA-N

Compound name

3-chloropropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4185
Patents: 175.94655 Da
Monoisotopic Mass: 1.3
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]+	176.95383	127.6
[M+Na]+	198.93577	137.6
[M-H]-	174.93927	128.5
[M+NH4]+	193.98037	149.6
[M+K]+	214.90971	133.7
[M+H-H2O]+	158.94381	125.7
[M+HCOO]-	220.94475	136.7
[M+CH3COO]-	234.96040	173.5
[M+Na-2H]-	196.92122	132.1
[M]+	175.94600	132.9
[M]-	175.94710	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe