CID 4095205

4-(trifluoroacetamido)pyridine

Structural Information

Molecular Formula

C₇H₅F₃N₂O

SMILES

C1=CN=CC=C1NC(=O)C(F)(F)F

InChI

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

InChIKey

WQSUOLIZDLLWDZ-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-pyridin-4-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 190.0354 Da
Monoisotopic Mass: 1.6
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	138.2
[M+Na]+	213.02462	146.4
[M+NH4]+	208.06922	143.3
[M+K]+	228.99856	142.3
[M-H]-	189.02812	134.7
[M+Na-2H]-	211.01007	142.9
[M]+	190.03485	138.0
[M]-	190.03595	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe