CID 28968

4-ethylbenzophenone

Structural Information

Molecular Formula

C₁₅H₁₄O

SMILES

CCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H14O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11H,2H2,1H3

InChIKey

IJUPTKULISHEID-UHFFFAOYSA-N

Compound name

(4-ethylphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 432
Patents: 210.10446 Da
Monoisotopic Mass: 4.1
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]+	211.111736	146.3
[M+Na]+	233.093678	153.5
[M-H]-	209.097184	153.0
[M+NH4]+	228.138283	164.8
[M+K]+	249.067618	149.8
[M+H-H2O]+	193.101720	139.2
[M+HCOO]-	255.102661	169.8
[M+CH3COO]-	269.118311	188.2
[M+Na-2H]-	231.079126	152.0
[M]+	210.10391142	146.2
[M]-	210.10500858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe