CID 121255

4-bromo-n-hydroxybenzenesulfonamide

Structural Information

Molecular Formula

C₆H₆BrNO₃S

SMILES

C1=CC(=CC=C1S(=O)(=O)NO)Br

InChI

InChI=1S/C6H6BrNO3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H

InChIKey

PORUPJYSNWMWCH-UHFFFAOYSA-N

Compound name

4-bromo-N-hydroxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 250.92519 Da
Monoisotopic Mass: 1.2
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]+	251.93247	132.0
[M+Na]+	273.91441	133.7
[M+NH4]+	268.95901	136.0
[M+K]+	289.88835	134.3
[M-H]-	249.91791	131.4
[M+Na-2H]-	271.89986	135.3
[M]+	250.92464	131.1
[M]-	250.92574	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe