CID 52839778

72633-64-8

Structural Information

Molecular Formula
C13H9F3N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=CNC2=O)C(F)(F)F
InChI
InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-12(20)10-5-2-6-17-11(10)19/h1-7H,(H,17,19)(H,18,20)
InChIKey
HRAILYWEUPEYQL-UHFFFAOYSA-N
Compound name
2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.0616 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.068876 157.9
[M+Na]+ 305.050818 166.4
[M-H]- 281.054324 158.5
[M+NH4]+ 300.095423 171.2
[M+K]+ 321.024758 161.0
[M+H-H2O]+ 265.058860 147.6
[M+HCOO]- 327.059801 175.8
[M+CH3COO]- 341.075451 197.0
[M+Na-2H]- 303.036266 162.8
[M]+ 282.06105142 152.1
[M]- 282.06214858 152.1
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