CID 12541460

2-methanesulfonylethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₇ClO₄S₂

SMILES

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

InChI

InChI=1S/C3H7ClO4S2/c1-9(5,6)2-3-10(4,7)8/h2-3H2,1H3

InChIKey

KJZORNLFTBYVOR-UHFFFAOYSA-N

Compound name

2-methylsulfonylethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 205.94743 Da
Monoisotopic Mass: -0.2
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]+	206.95471	136.3
[M+Na]+	228.93665	145.9
[M-H]-	204.94015	137.4
[M+NH4]+	223.98125	156.4
[M+K]+	244.91059	141.9
[M+H-H2O]+	188.94469	133.2
[M+HCOO]-	250.94563	143.9
[M+CH3COO]-	264.96128	176.1
[M+Na-2H]-	226.92210	140.1
[M]+	205.94688	142.3
[M]-	205.94798	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe