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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 145.1
[M+Na]+ 236.06820 153.0
[M-H]- 212.07170 150.6
[M+NH4]+ 231.11280 162.0
[M+K]+ 252.04214 150.1
[M+H-H2O]+ 196.07624 137.0
[M+HCOO]- 258.07718 168.1
[M+CH3COO]- 272.09283 186.9
[M+Na-2H]- 234.05365 151.9
[M]+ 213.07843 146.2
[M]- 213.07953 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe