CID 71683316

2-benzoyl-5-fluoropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe