CID 12054301

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

Structural Information

Molecular Formula
C13H11NO
SMILES
CC(=O)C1=NC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H11NO/c1-10(15)13-8-7-12(9-14-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
LRAHSIJOXHGDRW-UHFFFAOYSA-N
Compound name
1-(5-phenylpyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

197.08406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09134 141.6
[M+Na]+ 220.07328 149.7
[M-H]- 196.07678 147.2
[M+NH4]+ 215.11788 159.3
[M+K]+ 236.04722 146.2
[M+H-H2O]+ 180.08132 133.8
[M+HCOO]- 242.08226 164.5
[M+CH3COO]- 256.09791 184.8
[M+Na-2H]- 218.05873 148.5
[M]+ 197.08351 141.3
[M]- 197.08461 141.3
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