CID 457424

4-(trifluoroacetamido)-3-isoxazolidone

Structural Information

Molecular Formula
C5H5F3N2O3
SMILES
C1C(C(=O)NO1)NC(=O)C(F)(F)F
InChI
InChI=1S/C5H5F3N2O3/c6-5(7,8)4(12)9-2-1-13-10-3(2)11/h2H,1H2,(H,9,12)(H,10,11)
InChIKey
ZPKKJDVNJQFYEW-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(3-oxo-1,2-oxazolidin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

198.02522 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03250 134.3
[M+Na]+ 221.01444 141.6
[M-H]- 197.01794 131.9
[M+NH4]+ 216.05904 151.4
[M+K]+ 236.98838 141.0
[M+H-H2O]+ 181.02248 126.3
[M+HCOO]- 243.02342 150.5
[M+CH3COO]- 257.03907 178.6
[M+Na-2H]- 218.99989 138.4
[M]+ 198.02467 127.3
[M]- 198.02577 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.