CID 14043510

3-acetyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C8H6F3NO2
SMILES
CC(=O)C1=CC=C(NC1=O)C(F)(F)F
InChI
InChI=1S/C8H6F3NO2/c1-4(13)5-2-3-6(8(9,10)11)12-7(5)14/h2-3H,1H3,(H,12,14)
InChIKey
OCXZQCGYAFJZQA-UHFFFAOYSA-N
Compound name
3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.03506 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.042336 135.8
[M+Na]+ 228.024278 146.0
[M-H]- 204.027784 133.6
[M+NH4]+ 223.068883 153.1
[M+K]+ 243.998218 142.7
[M+H-H2O]+ 188.032320 127.8
[M+HCOO]- 250.033261 152.9
[M+CH3COO]- 264.048911 181.7
[M+Na-2H]- 226.009726 140.4
[M]+ 205.03451142 131.4
[M]- 205.03560858 131.4
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