CID 11041704

1017-24-9

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

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

InChI

InChI=1S/C13H11NO/c15-13(12-6-8-14-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2

InChIKey

SZKXYKRLZRYFMJ-UHFFFAOYSA-N

Compound name

2-phenyl-1-pyridin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 197.08406 Da
Monoisotopic Mass: 1.4
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]+	198.091336	142.0
[M+Na]+	220.073278	149.1
[M-H]-	196.076784	147.1
[M+NH4]+	215.117883	159.4
[M+K]+	236.047218	145.6
[M+H-H2O]+	180.081320	134.0
[M+HCOO]-	242.082261	164.9
[M+CH3COO]-	256.097911	183.8
[M+Na-2H]-	218.058726	149.6
[M]+	197.08351142	141.3
[M]-	197.08460858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe