CID 69503

1-benzoylnaphthalene

Structural Information

Molecular Formula

C₁₇H₁₂O

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H12O/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H

InChIKey

CXAYOCVHDCXPAI-UHFFFAOYSA-N

Compound name

naphthalen-1-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 1895
Patents: 232.08882 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]+	233.09610	151.7
[M+Na]+	255.07804	168.7
[M+NH4]+	250.12264	162.3
[M+K]+	271.05198	159.1
[M-H]-	231.08154	158.1
[M+Na-2H]-	253.06349	163.1
[M]+	232.08827	156.3
[M]-	232.08937	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe