CID 82047

7545-50-8

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)O)N)N)O
InChI
InChI=1S/C12H12N2O4S/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2
InChIKey
KECOIASOKMSRFT-UHFFFAOYSA-N
Compound name
2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4713
Patents

280.0518 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 159.9
[M+Na]+ 303.04102 170.5
[M+NH4]+ 298.08562 165.9
[M+K]+ 319.01496 165.1
[M-H]- 279.04452 162.3
[M+Na-2H]- 301.02647 165.6
[M]+ 280.05125 162.2
[M]- 280.05235 162.2
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