CID 132398461

3,3-difluoro-6-(iodomethyl)piperidin-2-one

Structural Information

Molecular Formula
C6H8F2INO
SMILES
C1CC(C(=O)NC1CI)(F)F
InChI
InChI=1S/C6H8F2INO/c7-6(8)2-1-4(3-9)10-5(6)11/h4H,1-3H2,(H,10,11)
InChIKey
WZOPVIWORDDRKQ-UHFFFAOYSA-N
Compound name
3,3-difluoro-6-(iodomethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.96188 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96916 135.3
[M+Na]+ 297.95110 136.3
[M-H]- 273.95460 126.9
[M+NH4]+ 292.99570 150.9
[M+K]+ 313.92504 139.8
[M+H-H2O]+ 257.95914 125.3
[M+HCOO]- 319.96008 147.1
[M+CH3COO]- 333.97573 183.5
[M+Na-2H]- 295.93655 128.1
[M]+ 274.96133 126.0
[M]- 274.96243 126.0
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.