CID 2749463

605-85-6

Structural Information

Molecular Formula

C₁₈H₁₄O

SMILES

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

InChI

InChI=1S/C18H14O/c19-18(13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2

InChIKey

MIWBWVYSHZGCDQ-UHFFFAOYSA-N

Compound name

1-naphthalen-1-yl-2-phenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 246.10446 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]+	247.111736	155.6
[M+Na]+	269.093678	162.7
[M-H]-	245.097184	162.8
[M+NH4]+	264.138283	173.3
[M+K]+	285.067618	157.5
[M+H-H2O]+	229.101720	147.6
[M+HCOO]-	291.102661	177.7
[M+CH3COO]-	305.118311	167.9
[M+Na-2H]-	267.079126	162.6
[M]+	246.10391142	155.1
[M]-	246.10500858	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe