CID 46177335

3,3-difluoropiperidin-2-one

Structural Information

Molecular Formula
C5H7F2NO
SMILES
C1CC(C(=O)NC1)(F)F
InChI
InChI=1S/C5H7F2NO/c6-5(7)2-1-3-8-4(5)9/h1-3H2,(H,8,9)
InChIKey
CZFCNNRJNWVTHR-UHFFFAOYSA-N
Compound name
3,3-difluoropiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

135.04958 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05686 123.0
[M+Na]+ 158.03880 130.8
[M-H]- 134.04230 121.2
[M+NH4]+ 153.08340 144.6
[M+K]+ 174.01274 128.9
[M+H-H2O]+ 118.04684 116.5
[M+HCOO]- 180.04778 140.0
[M+CH3COO]- 194.06343 167.5
[M+Na-2H]- 156.02425 129.1
[M]+ 135.04903 114.8
[M]- 135.05013 114.8
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

patents stripe