CID 201156

Benzidin-3-yl hydrogen sulfate

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)N)OS(=O)(=O)O)N
InChI
InChI=1S/C12H12N2O4S/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)18-19(15,16)17/h1-7H,13-14H2,(H,15,16,17)
InChIKey
VOERXDBQWZMNDQ-UHFFFAOYSA-N
Compound name
[2-amino-5-(4-aminophenyl)phenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

280.0518 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 159.4
[M+Na]+ 303.04102 170.2
[M+NH4]+ 298.08562 165.8
[M+K]+ 319.01496 164.3
[M-H]- 279.04452 162.3
[M+Na-2H]- 301.02647 166.0
[M]+ 280.05125 162.0
[M]- 280.05235 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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