CID 556269

Methanesulfonylmethanesulfonyl chloride

Structural Information

Molecular Formula

C₂H₅ClO₄S₂

SMILES

CS(=O)(=O)CS(=O)(=O)Cl

InChI

InChI=1S/C2H5ClO4S2/c1-8(4,5)2-9(3,6)7/h2H2,1H3

InChIKey

DQDYGBSUPOHHMW-UHFFFAOYSA-N

Compound name

methylsulfonylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 408
Patents: 191.93178 Da
Monoisotopic Mass: -0.1
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]+	192.939056	132.0
[M+Na]+	214.920998	142.0
[M-H]-	190.924504	133.3
[M+NH4]+	209.965603	152.6
[M+K]+	230.894938	138.2
[M+H-H2O]+	174.929040	129.1
[M+HCOO]-	236.929981	139.8
[M+CH3COO]-	250.945631	173.2
[M+Na-2H]-	212.906446	136.2
[M]+	191.93123142	137.6
[M]-	191.93232858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe