CID 69696

4-bromobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₆BrNO₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)N)Br

InChI

InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey

STYQHICBPYRHQK-UHFFFAOYSA-N

Compound name

4-bromobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 1567
Patents: 234.93027 Da
Monoisotopic Mass: 1.4
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]+	235.93755	128.3
[M+Na]+	257.91949	130.6
[M+NH4]+	252.96409	133.0
[M+K]+	273.89343	130.8
[M-H]-	233.92299	128.5
[M+Na-2H]-	255.90494	132.2
[M]+	234.92972	127.8
[M]-	234.93082	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe