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 130.6
[M+Na]+ 191.04026 138.8
[M-H]- 167.04376 126.1
[M+NH4]+ 186.08486 149.4
[M+K]+ 207.01420 136.7
[M+H-H2O]+ 151.04830 122.1
[M+HCOO]- 213.04924 145.7
[M+CH3COO]- 227.06489 173.0
[M+Na-2H]- 189.02571 134.2
[M]+ 168.05049 122.9
[M]- 168.05159 122.9
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.