CID 79515216

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

Structural Information

Molecular Formula
C6H6F3NO2
SMILES
C1C(=O)CN(C1=O)CC(F)(F)F
InChI
InChI=1S/C6H6F3NO2/c7-6(8,9)3-10-2-4(11)1-5(10)12/h1-3H2
InChIKey
MEPWPJYBYNHPNY-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.03506 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.042336 130.9
[M+Na]+ 204.024278 140.3
[M-H]- 180.027784 129.5
[M+NH4]+ 199.068883 151.5
[M+K]+ 219.998218 138.7
[M+H-H2O]+ 164.032320 123.4
[M+HCOO]- 226.033261 149.0
[M+CH3COO]- 240.048911 178.2
[M+Na-2H]- 202.009726 134.1
[M]+ 181.03451142 126.1
[M]- 181.03560858 126.1
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

No patent data available for this compound.