CID 83250429

3-(2,2,2-trifluoroethyl)imidazolidin-4-one

Structural Information

Molecular Formula
C5H7F3N2O
SMILES
C1C(=O)N(CN1)CC(F)(F)F
InChI
InChI=1S/C5H7F3N2O/c6-5(7,8)2-10-3-9-1-4(10)11/h9H,1-3H2
InChIKey
TUBMZICFMQBBGP-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.05104 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05832 138.4
[M+Na]+ 191.04026 144.5
[M+NH4]+ 186.08486 142.7
[M+K]+ 207.01420 142.6
[M-H]- 167.04376 132.5
[M+Na-2H]- 189.02571 139.3
[M]+ 168.05049 136.9
[M]- 168.05159 136.9
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.