CID 77054

Chloromethanesulfonyl chloride

Structural Information

Molecular Formula

CH₂Cl₂O₂S

SMILES

C(S(=O)(=O)Cl)Cl

InChI

InChI=1S/CH2Cl2O2S/c2-1-6(3,4)5/h1H2

InChIKey

KQDDQXNVESLJNO-UHFFFAOYSA-N

Compound name

chloromethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2096
Patents: 147.91525 Da
Monoisotopic Mass: 1.1
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]+	148.92253	124.6
[M+Na]+	170.90447	136.4
[M+NH4]+	165.94907	133.3
[M+K]+	186.87841	129.1
[M-H]-	146.90797	123.3
[M+Na-2H]-	168.88992	128.5
[M]+	147.91470	126.8
[M]-	147.91580	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe