CID 57970624

5-(trifluoroacetyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula

C₇H₄F₃NO₂

SMILES

C1=CC(=O)NC=C1C(=O)C(F)(F)F

InChI

InChI=1S/C7H4F3NO2/c8-7(9,10)6(13)4-1-2-5(12)11-3-4/h1-3H,(H,11,12)

InChIKey

UMTMJMPWURZWTH-UHFFFAOYSA-N

Compound name

5-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.01941 Da
Monoisotopic Mass: 0.7
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]+	192.02669	140.0
[M+Na]+	214.00863	148.8
[M+NH4]+	209.05323	144.4
[M+K]+	229.98257	145.0
[M-H]-	190.01213	135.1
[M+Na-2H]-	211.99408	143.4
[M]+	191.01886	139.4
[M]-	191.01996	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe