CID 14148750

38609-76-6

Structural Information

Molecular Formula
C7H3F6NO
SMILES
C1=C(C(=O)NC=C1C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H3F6NO/c8-6(9,10)3-1-4(7(11,12)13)5(15)14-2-3/h1-2H,(H,14,15)
InChIKey
IWSJDZMIJFAEBO-UHFFFAOYSA-N
Compound name
3,5-bis(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.01189 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01917 138.6
[M+Na]+ 254.00111 149.9
[M-H]- 230.00461 132.8
[M+NH4]+ 249.04571 154.8
[M+K]+ 269.97505 145.5
[M+H-H2O]+ 214.00915 128.5
[M+HCOO]- 276.01009 151.7
[M+CH3COO]- 290.02574 185.3
[M+Na-2H]- 251.98656 143.8
[M]+ 231.01134 129.2
[M]- 231.01244 129.2
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