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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.053236 140.7
[M+Na]+ 243.035178 150.0
[M-H]- 219.038684 138.4
[M+NH4]+ 238.079783 157.0
[M+K]+ 259.009118 146.6
[M+H-H2O]+ 203.043220 132.2
[M+HCOO]- 265.044161 158.8
[M+CH3COO]- 279.059811 186.0
[M+Na-2H]- 241.020626 145.5
[M]+ 220.04541142 135.4
[M]- 220.04650858 135.4
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