CID 137964378

(5,5-difluoro-6-oxopiperidin-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C6H8ClF2NO3S
SMILES
C1CC(C(=O)NC1CS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C6H8ClF2NO3S/c7-14(12,13)3-4-1-2-6(8,9)5(11)10-4/h4H,1-3H2,(H,10,11)
InChIKey
JBOXJFFPWACRFK-UHFFFAOYSA-N
Compound name
(5,5-difluoro-6-oxopiperidin-2-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.98814 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99542 141.2
[M+Na]+ 269.97736 150.5
[M-H]- 245.98086 139.7
[M+NH4]+ 265.02196 159.8
[M+K]+ 285.95130 145.9
[M+H-H2O]+ 229.98540 136.3
[M+HCOO]- 291.98634 147.4
[M+CH3COO]- 306.00199 182.3
[M+Na-2H]- 267.96281 144.2
[M]+ 246.98759 139.0
[M]- 246.98869 139.0
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.