CID 623849

1571-75-1

Structural Information

Molecular Formula

C₂₀H₁₈O₂

SMILES

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3

InChIKey

VOWWYDCFAISREI-UHFFFAOYSA-N

Compound name

4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 20688
Patents: 290.13068 Da
Monoisotopic Mass: 4.4
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]+	291.137956	168.3
[M+Na]+	313.119898	174.9
[M-H]-	289.123404	175.5
[M+NH4]+	308.164503	182.0
[M+K]+	329.093838	169.0
[M+H-H2O]+	273.127940	160.3
[M+HCOO]-	335.128881	187.7
[M+CH3COO]-	349.144531	197.9
[M+Na-2H]-	311.105346	174.0
[M]+	290.13013142	166.2
[M]-	290.13122858	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe