CID 66825

4-hydrazinobenzenesulfonic acid

Structural Information

Molecular Formula

C₆H₈N₂O₃S

SMILES

C1=CC(=CC=C1NN)S(=O)(=O)O

InChI

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

InChIKey

IOMZCWUHFGMSEJ-UHFFFAOYSA-N

Compound name

4-hydrazinylbenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 1124
Patents: 188.02556 Da
Monoisotopic Mass: -2.4
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]+	189.03284	135.9
[M+Na]+	211.01478	145.0
[M+NH4]+	206.05938	142.8
[M+K]+	226.98872	139.8
[M-H]-	187.01828	136.6
[M+Na-2H]-	209.00023	140.9
[M]+	188.02501	137.5
[M]-	188.02611	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe