CID 74817

2001-23-2

Structural Information

Molecular Formula

C₂₀H₁₆O

SMILES

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

InChI

InChI=1S/C20H16O/c21-20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2

InChIKey

FNOSNNPSTLUBPC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 272.12012 Da
Monoisotopic Mass: 4.8
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]+	273.12740	163.9
[M+Na]+	295.10934	170.1
[M-H]-	271.11284	173.1
[M+NH4]+	290.15394	179.1
[M+K]+	311.08328	164.5
[M+H-H2O]+	255.11738	154.9
[M+HCOO]-	317.11832	186.9
[M+CH3COO]-	331.13397	175.6
[M+Na-2H]-	293.09479	169.2
[M]+	272.11957	162.7
[M]-	272.12067	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe