CID 7017

2-phenylphenol

Structural Information

Molecular Formula

C₁₂H₁₀O

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2O

InChI

InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H

InChIKey

LLEMOWNGBBNAJR-UHFFFAOYSA-N

Compound name

2-phenylphenol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 422
References: 100370
Patents: 170.07317 Da
Monoisotopic Mass: 3.1
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]+	171.080446	133.7
[M+Na]+	193.062388	141.8
[M-H]-	169.065894	139.5
[M+NH4]+	188.106993	153.4
[M+K]+	209.036328	138.0
[M+H-H2O]+	153.070430	127.4
[M+HCOO]-	215.071371	157.6
[M+CH3COO]-	229.087021	147.6
[M+Na-2H]-	191.047836	141.9
[M]+	170.07262142	132.1
[M]-	170.07371858	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe