CID 202089

4-bromo-n-(4-methoxyphenyl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₃H₁₂BrNO₃S

SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H12BrNO3S/c1-18-12-6-4-11(5-7-12)15-19(16,17)13-8-2-10(14)3-9-13/h2-9,15H,1H3

InChIKey

RQCJPHFHAJZWBS-UHFFFAOYSA-N

Compound name

4-bromo-N-(4-methoxyphenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 340.97214 Da
Monoisotopic Mass: 2.9
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]+	341.97942	153.8
[M+Na]+	363.96136	157.6
[M+NH4]+	359.00596	158.3
[M+K]+	379.93530	156.3
[M-H]-	339.96486	156.0
[M+Na-2H]-	361.94681	159.7
[M]+	340.97159	154.2
[M]-	340.97269	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe