CID 2775114

2-hydroxy-6-(trifluoromethyl)nicotinamide

Structural Information

Molecular Formula
C7H5F3N2O2
SMILES
C1=C(C(=O)NC(=C1)C(F)(F)F)C(=O)N
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14)
InChIKey
BZMWJLRKOIRLSU-UHFFFAOYSA-N
Compound name
2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

312
Patents

206.03032 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03760 141.6
[M+Na]+ 229.01954 149.1
[M+NH4]+ 224.06414 145.3
[M+K]+ 244.99348 146.3
[M-H]- 205.02304 136.7
[M+Na-2H]- 227.00499 144.1
[M]+ 206.02977 140.7
[M]- 206.03087 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe