CID 119031496

Tert-butyl 4-[(chlorosulfonyl)methyl]-4-fluoropiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H19ClFNO4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CS(=O)(=O)Cl)F
InChI
InChI=1S/C11H19ClFNO4S/c1-10(2,3)18-9(15)14-6-4-11(13,5-7-14)8-19(12,16)17/h4-8H2,1-3H3
InChIKey
NXHGNDFJWFCSPS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(chlorosulfonylmethyl)-4-fluoropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.07074 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07802 163.9
[M+Na]+ 338.05996 170.7
[M-H]- 314.06346 164.5
[M+NH4]+ 333.10456 180.5
[M+K]+ 354.03390 168.0
[M+H-H2O]+ 298.06800 159.3
[M+HCOO]- 360.06894 168.9
[M+CH3COO]- 374.08459 197.2
[M+Na-2H]- 336.04541 166.6
[M]+ 315.07019 166.3
[M]- 315.07129 166.3
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

No patent data available for this compound.