CID 13254

4-phenoxyphenol

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

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

InChI

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

InChIKey

ZSBDGXGICLIJGD-UHFFFAOYSA-N

Compound name

4-phenoxyphenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 27
References: 6711
Patents: 186.06808 Da
Monoisotopic Mass: 3.4
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]+	187.075356	137.2
[M+Na]+	209.057298	145.2
[M-H]-	185.060804	143.0
[M+NH4]+	204.101903	156.1
[M+K]+	225.031238	142.0
[M+H-H2O]+	169.065340	130.6
[M+HCOO]-	231.066281	161.3
[M+CH3COO]-	245.081931	178.6
[M+Na-2H]-	207.042746	145.3
[M]+	186.06753142	137.0
[M]-	186.06862858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe