CID 10845741

2-(4-fluorobenzoyl)pyridine

Structural Information

Molecular Formula
C12H8FNO
SMILES
C1=CC=NC(=C1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H8FNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8H
InChIKey
FDXVCQMVVSWKLM-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-pyridin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

201.05899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06627 139.9
[M+Na]+ 224.04821 148.5
[M-H]- 200.05171 144.2
[M+NH4]+ 219.09281 157.4
[M+K]+ 240.02215 144.8
[M+H-H2O]+ 184.05625 131.3
[M+HCOO]- 246.05719 162.1
[M+CH3COO]- 260.07284 184.5
[M+Na-2H]- 222.03366 146.7
[M]+ 201.05844 138.2
[M]- 201.05954 138.2
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