CID 120098

28924-21-2

Structural Information

Molecular Formula

C₂₂H₂₀O₃

SMILES

CC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3

InChIKey

KOJXGMJOTRYLBD-UHFFFAOYSA-N

Compound name

1-[3,5-bis(phenylmethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 164
Patents: 332.14124 Da
Monoisotopic Mass: 4.5
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]+	333.14852	180.4
[M+Na]+	355.13046	196.7
[M+NH4]+	350.17506	188.8
[M+K]+	371.10440	187.2
[M-H]-	331.13396	187.4
[M+Na-2H]-	353.11591	191.9
[M]+	332.14069	185.0
[M]-	332.14179	185.0

Literature stripe

literature stripe

Patent stripe

patents stripe