CID 458889

5-amino-2-(4-hydroxyanilino)benzenesulfonic acid

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
C1=CC(=CC=C1NC2=C(C=C(C=C2)N)S(=O)(=O)O)O
InChI
InChI=1S/C12H12N2O4S/c13-8-1-6-11(12(7-8)19(16,17)18)14-9-2-4-10(15)5-3-9/h1-7,14-15H,13H2,(H,16,17,18)
InChIKey
ZLNNFBAXOCJJKM-UHFFFAOYSA-N
Compound name
5-amino-2-(4-hydroxyanilino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

280.0518 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 158.4
[M+Na]+ 303.04102 166.2
[M-H]- 279.04452 162.6
[M+NH4]+ 298.08562 172.4
[M+K]+ 319.01496 161.1
[M+H-H2O]+ 263.04906 151.5
[M+HCOO]- 325.05000 176.0
[M+CH3COO]- 339.06565 195.6
[M+Na-2H]- 301.02647 162.7
[M]+ 280.05125 157.7
[M]- 280.05235 157.7
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

patents stripe