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]+ 196.05800 136.1
[M+Na]+ 218.03994 144.3
[M-H]- 194.04344 134.3
[M+NH4]+ 213.08454 154.3
[M+K]+ 234.01388 142.4
[M+H-H2O]+ 178.04798 128.0
[M+HCOO]- 240.04892 151.7
[M+CH3COO]- 254.06457 181.5
[M+Na-2H]- 216.02539 140.0
[M]+ 195.05017 129.6
[M]- 195.05127 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