CID 55296739

5,5-difluoropiperidin-2-one

Structural Information

Molecular Formula
C5H7F2NO
SMILES
C1CC(CNC1=O)(F)F
InChI
InChI=1S/C5H7F2NO/c6-5(7)2-1-4(9)8-3-5/h1-3H2,(H,8,9)
InChIKey
GAGZNRUIVHZKQV-UHFFFAOYSA-N
Compound name
5,5-difluoropiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

135.04958 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe