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

7
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 122.3
[M+Na]+ 162.01372 130.2
[M-H]- 138.01722 119.8
[M+NH4]+ 157.05832 135.7
[M+K]+ 177.98766 131.3
[M+H-H2O]+ 122.02176 110.4
[M+HCOO]- 184.02270 138.1
[M+CH3COO]- 198.03835 172.9
[M+Na-2H]- 159.99917 127.8
[M]+ 139.02395 124.2
[M]- 139.02505 124.2
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