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

3
Annotation Hits: 16
References: 3046
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	146.8
[M+Na]+	237.08860	154.2
[M-H]-	213.09210	151.3
[M+NH4]+	232.13320	164.2
[M+K]+	253.06254	150.1
[M+H-H2O]+	197.09664	140.4
[M+HCOO]-	259.09758	167.7
[M+CH3COO]-	273.11323	184.1
[M+Na-2H]-	235.07405	151.4
[M]+	214.09883	145.3
[M]-	214.09993	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe