CID 66617

2,5-diaminobenzenesulfonic acid

Structural Information

Molecular Formula
C6H8N2O3S
SMILES
C1=CC(=C(C=C1N)S(=O)(=O)O)N
InChI
InChI=1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)
InChIKey
HEAHMJLHQCESBZ-UHFFFAOYSA-N
Compound name
2,5-diaminobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

3897
Patents

188.02556 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.032836 134.9
[M+Na]+ 211.014778 143.8
[M-H]- 187.018284 137.0
[M+NH4]+ 206.059383 153.4
[M+K]+ 226.988718 140.2
[M+H-H2O]+ 171.022820 129.4
[M+HCOO]- 233.023761 153.5
[M+CH3COO]- 247.039411 179.6
[M+Na-2H]- 209.000226 139.0
[M]+ 188.02501142 133.4
[M]- 188.02610858 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