CID 139604188

4-(difluoromethyl)azetidin-2-one

Structural Information

Molecular Formula
C4H5F2NO
SMILES
C1C(NC1=O)C(F)F
InChI
InChI=1S/C4H5F2NO/c5-4(6)2-1-3(8)7-2/h2,4H,1H2,(H,7,8)
InChIKey
PNOFHUWEVCDJNN-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.03392 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.041196 119.7
[M+Na]+ 144.023138 126.7
[M-H]- 120.026644 118.2
[M+NH4]+ 139.067743 133.6
[M+K]+ 159.997078 128.3
[M+H-H2O]+ 104.031180 107.9
[M+HCOO]- 166.032121 137.0
[M+CH3COO]- 180.047771 171.3
[M+Na-2H]- 142.008586 123.9
[M]+ 121.03337142 122.8
[M]- 121.03446858 122.8
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.