CID 68890048

1416713-20-6

Structural Information

Molecular Formula

C₇H₅F₃N₂O

SMILES

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

InChI

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

InChIKey

GZQWHSYPQHQEHH-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
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]+	191.042676	133.8
[M+Na]+	213.024618	142.9
[M-H]-	189.028124	132.3
[M+NH4]+	208.069223	151.6
[M+K]+	228.998558	140.3
[M+H-H2O]+	173.032660	125.2
[M+HCOO]-	235.033601	152.8
[M+CH3COO]-	249.049251	183.1
[M+Na-2H]-	211.010066	139.4
[M]+	190.03485142	128.1
[M]-	190.03594858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe