CID 83119582

1-(5-phenoxypyridin-2-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

CC(=O)C1=NC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C13H11NO2/c1-10(15)13-8-7-12(9-14-13)16-11-5-3-2-4-6-11/h2-9H,1H3

InChIKey

DPPVGRARRCUMGI-UHFFFAOYSA-N

Compound name

1-(5-phenoxypyridin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 213.07898 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]+	214.08626	146.0
[M+Na]+	236.06820	161.1
[M+NH4]+	231.11280	154.5
[M+K]+	252.04214	153.8
[M-H]-	212.07170	149.9
[M+Na-2H]-	234.05365	156.0
[M]+	213.07843	149.3
[M]-	213.07953	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe