CID 79516449

1-(2,2,2-trifluoroethyl)piperidine-2,4-dione

Structural Information

Molecular Formula
C7H8F3NO2
SMILES
C1CN(C(=O)CC1=O)CC(F)(F)F
InChI
InChI=1S/C7H8F3NO2/c8-7(9,10)4-11-2-1-5(12)3-6(11)13/h1-4H2
InChIKey
PBBHLBQXEVOWIR-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)piperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

195.05072 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.057996 136.1
[M+Na]+ 218.039938 144.3
[M-H]- 194.043444 134.3
[M+NH4]+ 213.084543 154.3
[M+K]+ 234.013878 142.4
[M+H-H2O]+ 178.047980 128.0
[M+HCOO]- 240.048921 151.7
[M+CH3COO]- 254.064571 181.5
[M+Na-2H]- 216.025386 140.0
[M]+ 195.05017142 129.6
[M]- 195.05126858 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe