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-amino-2-pyridinyl)-(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]+ 217.077166 144.8
[M+Na]+ 239.059108 153.4
[M-H]- 215.062614 148.9
[M+NH4]+ 234.103713 161.3
[M+K]+ 255.033048 149.3
[M+H-H2O]+ 199.067150 136.0
[M+HCOO]- 261.068091 167.3
[M+CH3COO]- 275.083741 189.9
[M+Na-2H]- 237.044556 150.2
[M]+ 216.06934142 141.8
[M]- 216.07043858 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.