CID 16326

2051-89-0

Structural Information

Molecular Formula
C12H12N2O3S
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)N)S(=O)(=O)O)N
InChI
InChI=1S/C12H12N2O3S/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)18(15,16)17/h1-7H,13-14H2,(H,15,16,17)
InChIKey
FGQDYDZVRHQDIN-UHFFFAOYSA-N
Compound name
2-amino-5-(4-aminophenyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

241
Patents

264.05685 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06413 156.4
[M+Na]+ 287.04607 167.7
[M+NH4]+ 282.09067 163.4
[M+K]+ 303.02001 161.2
[M-H]- 263.04957 159.8
[M+Na-2H]- 285.03152 163.4
[M]+ 264.05630 159.2
[M]- 264.05740 159.2
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