CID 10730718

247186-99-8

Structural Information

Molecular Formula

C₇H₈ClNO₄S₂

SMILES

CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl

InChI

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

InChIKey

BYFIYJHEXYSWEU-UHFFFAOYSA-N

Compound name

4-(methylsulfamoyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 268.9583 Da
Monoisotopic Mass: 1.3
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]+	269.965576	152.3
[M+Na]+	291.947518	161.8
[M-H]-	267.951024	156.5
[M+NH4]+	286.992123	169.6
[M+K]+	307.921458	156.3
[M+H-H2O]+	251.955560	147.8
[M+HCOO]-	313.956501	161.3
[M+CH3COO]-	327.972151	189.3
[M+Na-2H]-	289.932966	157.4
[M]+	268.95775142	157.3
[M]-	268.95884858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe