CID 11171903

85-27-8

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

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

InChI

InChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3

InChIKey

PQSXNIMHIHYFEE-UHFFFAOYSA-N

Compound name

4-(1-phenylethyl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 2972
Patents: 214.09938 Da
Monoisotopic Mass: 3.5
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	147.8
[M+Na]+	237.08860	162.2
[M+NH4]+	232.13320	156.6
[M+K]+	253.06254	155.3
[M-H]-	213.09210	151.9
[M+Na-2H]-	235.07405	156.7
[M]+	214.09883	151.1
[M]-	214.09993	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe