CID 75491

2-phenoxyphenol

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2O

InChI

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

InChIKey

KDTZBYPBMTXCSO-UHFFFAOYSA-N

Compound name

2-phenoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 24
References: 5345
Patents: 186.06808 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]+	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