CID 3057909

74254-62-9

Structural Information

Molecular Formula
C14H20ClNO3S
SMILES
COC1=C(C=C(C=C1)Cl)S(=O)(=O)CCN2CCCCC2
InChI
InChI=1S/C14H20ClNO3S/c1-19-13-6-5-12(15)11-14(13)20(17,18)10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKey
HOUIIXFXTFHJOR-UHFFFAOYSA-N
Compound name
1-[2-(5-chloro-2-methoxyphenyl)sulfonylethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08524 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09252 169.7
[M+Na]+ 340.07446 176.5
[M-H]- 316.07796 174.5
[M+NH4]+ 335.11906 184.2
[M+K]+ 356.04840 171.6
[M+H-H2O]+ 300.08250 162.9
[M+HCOO]- 362.08344 178.4
[M+CH3COO]- 376.09909 200.4
[M+Na-2H]- 338.05991 171.1
[M]+ 317.08469 172.5
[M]- 317.08579 172.5
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.