CID 13462038

93345-21-2

Structural Information

Molecular Formula

C₇H₈ClNO₄S₂

SMILES

CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C7H8ClNO4S2/c1-14(10,11)9-6-2-4-7(5-3-6)15(8,12)13/h2-5,9H,1H3

InChIKey

WHPYBOQWWLLDDH-UHFFFAOYSA-N

Compound name

4-(methanesulfonamido)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 268.9583 Da
Monoisotopic Mass: 0.7
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]+	269.96558	157.6
[M+Na]+	291.94752	167.6
[M+NH4]+	286.99212	164.2
[M+K]+	307.92146	159.8
[M-H]-	267.95102	157.2
[M+Na-2H]-	289.93297	161.7
[M]+	268.95775	160.0
[M]-	268.95885	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe