CID 16918

3,3'-dihydroxybenzidine

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N)O)O)N
InChI
InChI=1S/C12H12N2O2/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,15-16H,13-14H2
InChIKey
ZGDMDBHLKNQPSD-UHFFFAOYSA-N
Compound name
2-amino-5-(4-amino-3-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

8967
Patents

216.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 146.6
[M+Na]+ 239.079088 155.3
[M-H]- 215.082594 151.0
[M+NH4]+ 234.123693 163.3
[M+K]+ 255.053028 150.5
[M+H-H2O]+ 199.087130 140.1
[M+HCOO]- 261.088071 169.9
[M+CH3COO]- 275.103721 189.0
[M+Na-2H]- 237.064536 150.6
[M]+ 216.08932142 142.5
[M]- 216.09041858 142.5
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