CID 21540

3-benzoylpyridine

Structural Information

Molecular Formula
C12H9NO
SMILES
C1=CC=C(C=C1)C(=O)C2=CN=CC=C2
InChI
InChI=1S/C12H9NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-9H
InChIKey
RYMBAPVTUHZCNF-UHFFFAOYSA-N
Compound name
phenyl(pyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

734
Patents

183.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.075696 137.3
[M+Na]+ 206.057638 144.9
[M-H]- 182.061144 142.6
[M+NH4]+ 201.102243 155.3
[M+K]+ 222.031578 141.6
[M+H-H2O]+ 166.065680 129.5
[M+HCOO]- 228.066621 160.5
[M+CH3COO]- 242.082271 180.7
[M+Na-2H]- 204.043086 145.5
[M]+ 183.06787142 136.3
[M]- 183.06896858 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe