CID 2782643

4-(trifluoromethyl)nicotinamide

Structural Information

Molecular Formula

C₇H₅F₃N₂O

SMILES

C1=CN=CC(=C1C(F)(F)F)C(=O)N

InChI

InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)

InChIKey

JUIWZYBJXUPIKF-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 231
Patents: 190.0354 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.04268	138.6
[M+Na]+	213.02462	146.8
[M+NH4]+	208.06922	143.4
[M+K]+	228.99856	143.1
[M-H]-	189.02812	134.9
[M+Na-2H]-	211.01007	142.5
[M]+	190.03485	138.3
[M]-	190.03595	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe