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]+ 182.04234 130.9
[M+Na]+ 204.02428 140.3
[M-H]- 180.02778 129.5
[M+NH4]+ 199.06888 151.5
[M+K]+ 219.99822 138.7
[M+H-H2O]+ 164.03232 123.4
[M+HCOO]- 226.03326 149.0
[M+CH3COO]- 240.04891 178.2
[M+Na-2H]- 202.00973 134.1
[M]+ 181.03451 126.1
[M]- 181.03561 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.