CID 458053

5-amino-2-(4-aminophenyl)sulfonyl-phenol

Structural Information

Molecular Formula
C12H12N2O3S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=C(C=C(C=C2)N)O
InChI
InChI=1S/C12H12N2O3S/c13-8-1-4-10(5-2-8)18(16,17)12-6-3-9(14)7-11(12)15/h1-7,15H,13-14H2
InChIKey
OAQLGOSYJPOKRS-UHFFFAOYSA-N
Compound name
5-amino-2-(4-aminophenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

264.05685 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06413 155.9
[M+Na]+ 287.04607 164.6
[M-H]- 263.04957 161.2
[M+NH4]+ 282.09067 171.3
[M+K]+ 303.02001 159.2
[M+H-H2O]+ 247.05411 149.1
[M+HCOO]- 309.05505 174.3
[M+CH3COO]- 323.07070 194.9
[M+Na-2H]- 285.03152 159.4
[M]+ 264.05630 154.7
[M]- 264.05740 154.7
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