CID 116613752

2-(4-fluorobenzoyl)pyridin-3-amine

Structural Information

Molecular Formula
C12H9FN2O
SMILES
C1=CC(=C(N=C1)C(=O)C2=CC=C(C=C2)F)N
InChI
InChI=1S/C12H9FN2O/c13-9-5-3-8(4-6-9)12(16)11-10(14)2-1-7-15-11/h1-7H,14H2
InChIKey
QGPIDUKPJKDKKF-UHFFFAOYSA-N
Compound name
(3-aminopyridin-2-yl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.06989 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07717 146.0
[M+Na]+ 239.05911 159.4
[M+NH4]+ 234.10371 153.6
[M+K]+ 255.03305 152.8
[M-H]- 215.06261 148.9
[M+Na-2H]- 237.04456 154.8
[M]+ 216.06934 148.6
[M]- 216.07044 148.6
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

No patent data available for this compound.