CID 22483774

3-hydroxybenzidine

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)N)O)N
InChI
InChI=1S/C12H12N2O/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7,15H,13-14H2
InChIKey
CSXIQWQKAJYFAL-UHFFFAOYSA-N
Compound name
2-amino-5-(4-aminophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

200.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 142.8
[M+Na]+ 223.084178 151.1
[M-H]- 199.087684 148.2
[M+NH4]+ 218.128783 160.6
[M+K]+ 239.058118 146.5
[M+H-H2O]+ 183.092220 136.1
[M+HCOO]- 245.093161 167.4
[M+CH3COO]- 259.108811 187.7
[M+Na-2H]- 221.069626 148.0
[M]+ 200.09441142 138.6
[M]- 200.09550858 138.6
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