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 144.8
[M+Na]+ 239.05911 153.4
[M-H]- 215.06261 148.9
[M+NH4]+ 234.10371 161.3
[M+K]+ 255.03305 149.3
[M+H-H2O]+ 199.06715 136.0
[M+HCOO]- 261.06809 167.3
[M+CH3COO]- 275.08374 189.9
[M+Na-2H]- 237.04456 150.2
[M]+ 216.06934 141.8
[M]- 216.07044 141.8
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.