CID 5171345

109210-19-7

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

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

InChI

InChI=1S/C14H14O2/c15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)16/h1-9,13,15-16H,10H2

InChIKey

MKKQQHGJBDZKPX-UHFFFAOYSA-N

Compound name

2-(2-hydroxy-1-phenylethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 214.09938 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]+	215.10666	147.2
[M+Na]+	237.08860	153.6
[M-H]-	213.09210	151.3
[M+NH4]+	232.13320	164.2
[M+K]+	253.06254	149.5
[M+H-H2O]+	197.09664	140.6
[M+HCOO]-	259.09758	168.1
[M+CH3COO]-	273.11323	183.0
[M+Na-2H]-	235.07405	152.5
[M]+	214.09883	145.2
[M]-	214.09993	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe