CID 71654

Fenocinol

Structural Information

Molecular Formula

C₁₆H₁₈O₃

SMILES

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

InChI

InChI=1S/C16H18O3/c1-16(17,12-7-5-4-6-8-12)14-10-9-13(18-2)11-15(14)19-3/h4-11,17H,1-3H3

InChIKey

WQFUGXLJDDEHRM-UHFFFAOYSA-N

Compound name

1-(2,4-dimethoxyphenyl)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 32
Patents: 258.12558 Da
Monoisotopic Mass: 2.9
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]+	259.132856	159.0
[M+Na]+	281.114798	166.4
[M-H]-	257.118304	164.7
[M+NH4]+	276.159403	175.3
[M+K]+	297.088738	163.5
[M+H-H2O]+	241.122840	152.0
[M+HCOO]-	303.123781	180.3
[M+CH3COO]-	317.139431	194.3
[M+Na-2H]-	279.100246	164.9
[M]+	258.12503142	161.5
[M]-	258.12612858	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe