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: 2290
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	118.5
[M+Na]+	170.90447	129.4
[M-H]-	146.90797	119.7
[M+NH4]+	165.94907	141.6
[M+K]+	186.87841	126.0
[M+H-H2O]+	130.91251	117.1
[M+HCOO]-	192.91345	128.2
[M+CH3COO]-	206.92910	167.5
[M+Na-2H]-	168.88992	124.0
[M]+	147.91470	123.1
[M]-	147.91580	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe