CID 5214009

29263-70-5

Structural Information

Molecular Formula

C₂₀H₁₆O₂

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H16O2/c21-20(15-22-19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14H,15H2

InChIKey

LHCZUWKAMIZIRI-UHFFFAOYSA-N

Compound name

2-phenoxy-1-(4-phenylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 288.11502 Da
Monoisotopic Mass: 4.9
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]+	289.12230	167.5
[M+Na]+	311.10424	173.6
[M-H]-	287.10774	176.7
[M+NH4]+	306.14884	182.0
[M+K]+	327.07818	168.7
[M+H-H2O]+	271.11228	158.2
[M+HCOO]-	333.11322	190.7
[M+CH3COO]-	347.12887	179.0
[M+Na-2H]-	309.08969	172.7
[M]+	288.11447	167.6
[M]-	288.11557	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe