CID 214240

27922-27-6

Structural Information

Molecular Formula
C13H18FNO2S
SMILES
C1CCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H18FNO2S/c14-12-4-6-13(7-5-12)18(16,17)11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2
InChIKey
UMXRRDKHQHPMSX-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)sulfonylethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.10422 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11150 161.0
[M+Na]+ 294.09344 171.7
[M+NH4]+ 289.13804 168.3
[M+K]+ 310.06738 163.3
[M-H]- 270.09694 162.2
[M+Na-2H]- 292.07889 166.8
[M]+ 271.10367 163.2
[M]- 271.10477 163.2
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.