CID 7385

3-amino-4-hydroxybenzenesulfonic acid

Structural Information

Molecular Formula
C6H7NO4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)O)N)O
InChI
InChI=1S/C6H7NO4S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3,8H,7H2,(H,9,10,11)
InChIKey
ULUIMLJNTCECJU-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

3041
Patents

189.00958 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.016856 134.3
[M+Na]+ 211.998798 143.5
[M-H]- 188.002304 135.7
[M+NH4]+ 207.043403 152.7
[M+K]+ 227.972738 140.0
[M+H-H2O]+ 172.006840 129.4
[M+HCOO]- 234.007781 151.4
[M+CH3COO]- 248.023431 174.8
[M+Na-2H]- 209.984246 138.7
[M]+ 189.00903142 134.2
[M]- 189.01012858 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

literature stripe

Patent stripe

patents stripe