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]+ 283.06888 157.9
[M+Na]+ 305.05082 166.4
[M-H]- 281.05432 158.5
[M+NH4]+ 300.09542 171.2
[M+K]+ 321.02476 161.0
[M+H-H2O]+ 265.05886 147.6
[M+HCOO]- 327.05980 175.8
[M+CH3COO]- 341.07545 197.0
[M+Na-2H]- 303.03627 162.8
[M]+ 282.06105 152.1
[M]- 282.06215 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