CID 21816813

1-(4-phenylpyridin-2-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

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

InChI

InChI=1S/C13H11NO/c1-10(15)13-9-12(7-8-14-13)11-5-3-2-4-6-11/h2-9H,1H3

InChIKey

FUMHVLMTCDBADZ-UHFFFAOYSA-N

Compound name

1-(4-phenyl-2-pyridinyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.08406 Da
Monoisotopic Mass: 2.5
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]+	198.091336	141.6
[M+Na]+	220.073278	149.7
[M-H]-	196.076784	147.2
[M+NH4]+	215.117883	159.3
[M+K]+	236.047218	146.2
[M+H-H2O]+	180.081320	133.8
[M+HCOO]-	242.082261	164.5
[M+CH3COO]-	256.097911	184.8
[M+Na-2H]-	218.058726	148.5
[M]+	197.08351142	141.3
[M]-	197.08460858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe