CID 220330

3-(methylsulfonyl)benzenesulfonyl chloride

Structural Information

Molecular Formula

C₇H₇ClO₄S₂

SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)Cl

InChI

InChI=1S/C7H7ClO4S2/c1-13(9,10)6-3-2-4-7(5-6)14(8,11)12/h2-5H,1H3

InChIKey

CQEFJGDLGWJIRV-UHFFFAOYSA-N

Compound name

3-methylsulfonylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 323
Patents: 253.94743 Da
Monoisotopic Mass: 1.6
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]+	254.95471	154.4
[M+Na]+	276.93665	165.8
[M+NH4]+	271.98125	161.6
[M+K]+	292.91059	157.5
[M-H]-	252.94015	153.9
[M+Na-2H]-	274.92210	158.7
[M]+	253.94688	157.1
[M]-	253.94798	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe