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: 179
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]+	333.148516	180.0
[M+Na]+	355.130458	185.8
[M-H]-	331.133964	189.2
[M+NH4]+	350.175063	192.8
[M+K]+	371.104398	181.3
[M+H-H2O]+	315.138500	170.0
[M+HCOO]-	377.139441	202.5
[M+CH3COO]-	391.155091	210.3
[M+Na-2H]-	353.115906	183.3
[M]+	332.14069142	182.5
[M]-	332.14178858	182.5

Literature stripe

literature stripe

Patent stripe

patents stripe