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]+ 182.042336 130.1
[M+Na]+ 204.024278 140.1
[M-H]- 180.027784 127.7
[M+NH4]+ 199.068883 152.0
[M+K]+ 219.998218 137.8
[M+H-H2O]+ 164.032320 124.0
[M+HCOO]- 226.033261 146.7
[M+CH3COO]- 240.048911 175.1
[M+Na-2H]- 202.009726 134.3
[M]+ 181.03451142 123.7
[M]- 181.03560858 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.