CID 149269

65461-91-8

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

C1=CC(=CC(=C1)O)NC2=CC(=CC=C2)O

InChI

InChI=1S/C12H11NO2/c14-11-5-1-3-9(7-11)13-10-4-2-6-12(15)8-10/h1-8,13-15H

InChIKey

JSQGOXTYKZBABW-UHFFFAOYSA-N

Compound name

3-(3-hydroxyanilino)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 396
Patents: 201.07898 Da
Monoisotopic Mass: 2.8
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]+	202.08626	141.2
[M+Na]+	224.06820	148.8
[M-H]-	200.07170	145.9
[M+NH4]+	219.11280	158.8
[M+K]+	240.04214	144.7
[M+H-H2O]+	184.07624	134.7
[M+HCOO]-	246.07718	164.8
[M+CH3COO]-	260.09283	182.2
[M+Na-2H]-	222.05365	148.5
[M]+	201.07843	138.9
[M]-	201.07953	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe