CID 53256750

4,4-difluoropiperidine-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H8ClF2NO2S
SMILES
C1CN(CCC1(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C5H8ClF2NO2S/c6-12(10,11)9-3-1-5(7,8)2-4-9/h1-4H2
InChIKey
QSGQFPJNSNFIMU-UHFFFAOYSA-N
Compound name
4,4-difluoropiperidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

218.99324 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00052 135.2
[M+Na]+ 241.98246 144.3
[M-H]- 217.98596 135.0
[M+NH4]+ 237.02706 155.5
[M+K]+ 257.95640 141.1
[M+H-H2O]+ 201.99050 129.8
[M+HCOO]- 263.99144 142.8
[M+CH3COO]- 278.00709 179.5
[M+Na-2H]- 239.96791 139.3
[M]+ 218.99269 133.3
[M]- 218.99379 133.3
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