CID 66623

2,4-diaminobenzenesulfonic acid

Structural Information

Molecular Formula

C₆H₈N₂O₃S

SMILES

C1=CC(=C(C=C1N)N)S(=O)(=O)O

InChI

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

InChIKey

JVMSQRAXNZPDHF-UHFFFAOYSA-N

Compound name

2,4-diaminobenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 4036
Patents: 188.02556 Da
Monoisotopic Mass: -1.0
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	136.2
[M+Na]+	211.01478	145.3
[M+NH4]+	206.05938	142.9
[M+K]+	226.98872	140.6
[M-H]-	187.01828	136.8
[M+Na-2H]-	209.00023	140.4
[M]+	188.02501	137.7
[M]-	188.02611	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe