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]+ 281.059076 158.4
[M+Na]+ 303.041018 166.2
[M-H]- 279.044524 162.6
[M+NH4]+ 298.085623 172.4
[M+K]+ 319.014958 161.1
[M+H-H2O]+ 263.049060 151.5
[M+HCOO]- 325.050001 176.0
[M+CH3COO]- 339.065651 195.6
[M+Na-2H]- 301.026466 162.7
[M]+ 280.05125142 157.7
[M]- 280.05234858 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