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

253
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 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

No literature data available for this compound.

Patent stripe

patents stripe