CID 137698637

5-methyl-5-(trifluoromethyl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C6H6F3NO2
SMILES
CC1(C(=O)CC(=O)N1)C(F)(F)F
InChI
InChI=1S/C6H6F3NO2/c1-5(6(7,8)9)3(11)2-4(12)10-5/h2H2,1H3,(H,10,12)
InChIKey
MKEVIUFGXDOHNQ-UHFFFAOYSA-N
Compound name
5-methyl-5-(trifluoromethyl)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 130.1
[M+Na]+ 204.02428 140.1
[M-H]- 180.02778 127.7
[M+NH4]+ 199.06888 152.0
[M+K]+ 219.99822 137.8
[M+H-H2O]+ 164.03232 124.0
[M+HCOO]- 226.03326 146.7
[M+CH3COO]- 240.04891 175.1
[M+Na-2H]- 202.00973 134.3
[M]+ 181.03451 123.7
[M]- 181.03561 123.7
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.