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

4
Annotation Hits: 2
References: 9789
Patents: 216.08987 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.09715	147.2
[M+Na]+	239.07909	159.9
[M+NH4]+	234.12369	155.0
[M+K]+	255.05303	154.3
[M-H]-	215.08259	151.7
[M+Na-2H]-	237.06454	154.8
[M]+	216.08932	150.1
[M]-	216.09042	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe