CID 21634327

4-(trifluoromethyl)azetidin-2-one

Structural Information

Molecular Formula
C4H4F3NO
SMILES
C1C(NC1=O)C(F)(F)F
InChI
InChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(9)8-2/h2H,1H2,(H,8,9)
InChIKey
QPVHHOHJONKYIO-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.0245 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03178 136.5
[M+Na]+ 162.01372 140.0
[M+NH4]+ 157.05832 138.0
[M+K]+ 177.98766 137.7
[M-H]- 138.01722 129.2
[M+Na-2H]- 159.99917 135.9
[M]+ 139.02395 133.4
[M]- 139.02505 133.4
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

patents stripe