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

4354
Patents

188.02556 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03284 134.9
[M+Na]+ 211.01478 143.8
[M-H]- 187.01828 137.0
[M+NH4]+ 206.05938 153.4
[M+K]+ 226.98872 140.2
[M+H-H2O]+ 171.02282 129.4
[M+HCOO]- 233.02376 153.5
[M+CH3COO]- 247.03941 179.6
[M+Na-2H]- 209.00023 139.0
[M]+ 188.02501 133.4
[M]- 188.02611 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe