CID 53219182

1261942-62-4

Structural Information

Molecular Formula

C₂₀H₁₈O₂

SMILES

CC1=C(C=CC(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H18O2/c1-15-13-18(9-12-20(15)21)17-7-10-19(11-8-17)22-14-16-5-3-2-4-6-16/h2-13,21H,14H2,1H3

InChIKey

KWJYGJDDTZNRHB-UHFFFAOYSA-N

Compound name

2-methyl-4-(4-phenylmethoxyphenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.13068 Da
Monoisotopic Mass: 5.0
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	175.8
[M-H]-	289.123404	176.9
[M+NH4]+	308.164503	182.8
[M+K]+	329.093838	170.2
[M+H-H2O]+	273.127940	159.4
[M+HCOO]-	335.128881	190.8
[M+CH3COO]-	349.144531	179.9
[M+Na-2H]-	311.105346	172.8
[M]+	290.13013142	168.8
[M]-	290.13122858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.