CID 47137243

1961206-09-6

Structural Information

Molecular Formula

C₈H₇F₃N₂O₂

SMILES

CC(=O)NC1=CC(=CNC1=O)C(F)(F)F

InChI

InChI=1S/C8H7F3N2O2/c1-4(14)13-6-2-5(8(9,10)11)3-12-7(6)15/h2-3H,1H3,(H,12,15)(H,13,14)

InChIKey

SEXUKPGDELONHT-UHFFFAOYSA-N

Compound name

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 220.04596 Da
Monoisotopic Mass: 0.0
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]+	221.05324	146.0
[M+Na]+	243.03518	153.7
[M+NH4]+	238.07978	149.7
[M+K]+	259.00912	150.4
[M-H]-	219.03868	141.3
[M+Na-2H]-	241.02063	148.7
[M]+	220.04541	145.2
[M]-	220.04651	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe