CID 293101

Benzenesulfonamide, n-(4-bromophenyl)-

Structural Information

Molecular Formula

C₁₂H₁₀BrNO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H10BrNO2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h1-9,14H

InChIKey

HHLFFQAEABRCOJ-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 310.96155 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]+	311.96883	150.9
[M+Na]+	333.95077	162.6
[M-H]-	309.95427	160.4
[M+NH4]+	328.99537	169.5
[M+K]+	349.92471	149.7
[M+H-H2O]+	293.95881	150.3
[M+HCOO]-	355.95975	168.9
[M+CH3COO]-	369.97540	198.1
[M+Na-2H]-	331.93622	159.1
[M]+	310.96100	170.7
[M]-	310.96210	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe