CID 256073

2-phenyl-1-(pyridin-2-yl)ethanone

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

C1=CC=C(C=C1)CC(=O)C2=CC=CC=N2

InChI

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

InChIKey

WTYYKZLGTHPLPZ-UHFFFAOYSA-N

Compound name

2-phenyl-1-pyridin-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 90
Patents: 197.08406 Da
Monoisotopic Mass: 2.4
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]+	198.09134	143.2
[M+Na]+	220.07328	158.4
[M+NH4]+	215.11788	152.3
[M+K]+	236.04722	150.3
[M-H]-	196.07678	147.6
[M+Na-2H]-	218.05873	153.9
[M]+	197.08351	146.7
[M]-	197.08461	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe