CID 240910

21307-20-0

Structural Information

Molecular Formula

C₆H₈N₂O₃S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NO

InChI

InChI=1S/C6H8N2O3S/c7-5-1-3-6(4-2-5)12(10,11)8-9/h1-4,8-9H,7H2

InChIKey

HBZIAYRTJNOIOI-UHFFFAOYSA-N

Compound name

4-amino-N-hydroxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 188.02556 Da
Monoisotopic Mass: -0.2
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]+	189.03284	134.5
[M+Na]+	211.01478	142.6
[M-H]-	187.01828	136.9
[M+NH4]+	206.05938	153.0
[M+K]+	226.98872	139.3
[M+H-H2O]+	171.02282	128.8
[M+HCOO]-	233.02376	153.9
[M+CH3COO]-	247.03941	178.9
[M+Na-2H]-	209.00023	140.4
[M]+	188.02501	133.7
[M]-	188.02611	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe