CID 91662789

1803610-57-2

Structural Information

Molecular Formula
C5H4F3NO2
SMILES
C1C(=O)CN1C(=O)C(F)(F)F
InChI
InChI=1S/C5H4F3NO2/c6-5(7,8)4(11)9-1-3(10)2-9/h1-2H2
InChIKey
NWGKTFLTBNWJIJ-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroacetyl)azetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.01941 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.026686 128.1
[M+Na]+ 190.008628 135.8
[M-H]- 166.012134 126.9
[M+NH4]+ 185.053233 140.9
[M+K]+ 205.982568 138.0
[M+H-H2O]+ 150.016670 115.6
[M+HCOO]- 212.017611 144.4
[M+CH3COO]- 226.033261 179.6
[M+Na-2H]- 187.994076 132.3
[M]+ 167.01886142 132.1
[M]- 167.01995858 132.1
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

patents stripe