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]+ 275.969156 135.3
[M+Na]+ 297.951098 136.3
[M-H]- 273.954604 126.9
[M+NH4]+ 292.995703 150.9
[M+K]+ 313.925038 139.8
[M+H-H2O]+ 257.959140 125.3
[M+HCOO]- 319.960081 147.1
[M+CH3COO]- 333.975731 183.5
[M+Na-2H]- 295.936546 128.1
[M]+ 274.96133142 126.0
[M]- 274.96242858 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.