CID 219595

4-amino-2-hydroxybenzenesulfonic acid

Structural Information

Molecular Formula
C6H7NO4S
SMILES
C1=CC(=C(C=C1N)O)S(=O)(=O)O
InChI
InChI=1S/C6H7NO4S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)
InChIKey
GPLYAUJTVOYYTL-UHFFFAOYSA-N
Compound name
4-amino-2-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

410
Patents

189.00958 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01686 134.3
[M+Na]+ 211.99880 143.5
[M-H]- 188.00230 135.7
[M+NH4]+ 207.04340 152.7
[M+K]+ 227.97274 140.0
[M+H-H2O]+ 172.00684 129.4
[M+HCOO]- 234.00778 151.4
[M+CH3COO]- 248.02343 174.8
[M+Na-2H]- 209.98425 138.7
[M]+ 189.00903 134.2
[M]- 189.01013 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.