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]+ 122.04120 119.7
[M+Na]+ 144.02314 126.7
[M-H]- 120.02664 118.2
[M+NH4]+ 139.06774 133.6
[M+K]+ 159.99708 128.3
[M+H-H2O]+ 104.03118 107.9
[M+HCOO]- 166.03212 137.0
[M+CH3COO]- 180.04777 171.3
[M+Na-2H]- 142.00859 123.9
[M]+ 121.03337 122.8
[M]- 121.03447 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.