CID 12842

3-phenoxyphenol

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)O

InChI

InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H

InChIKey

HBUCPZGYBSEEHF-UHFFFAOYSA-N

Compound name

3-phenoxyphenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 2134
Patents: 186.06808 Da
Monoisotopic Mass: 3.6
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]+	187.07536	137.2
[M+Na]+	209.05730	145.2
[M-H]-	185.06080	143.0
[M+NH4]+	204.10190	156.1
[M+K]+	225.03124	142.0
[M+H-H2O]+	169.06534	130.6
[M+HCOO]-	231.06628	161.3
[M+CH3COO]-	245.08193	178.6
[M+Na-2H]-	207.04275	145.3
[M]+	186.06753	137.0
[M]-	186.06863	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe