CID 3057915

74254-82-3

Structural Information

Molecular Formula
C15H22ClNO3S
SMILES
COC1=C(C=C(C=C1)Cl)S(=O)(=O)CCCN2CCCCC2
InChI
InChI=1S/C15H22ClNO3S/c1-20-14-7-6-13(16)12-15(14)21(18,19)11-5-10-17-8-3-2-4-9-17/h6-7,12H,2-5,8-11H2,1H3
InChIKey
WSGSDEIIQUJNFP-UHFFFAOYSA-N
Compound name
1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1009 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10818 174.1
[M+Na]+ 354.09012 180.4
[M-H]- 330.09362 178.7
[M+NH4]+ 349.13472 187.9
[M+K]+ 370.06406 175.3
[M+H-H2O]+ 314.09816 167.0
[M+HCOO]- 376.09910 182.4
[M+CH3COO]- 390.11475 203.3
[M+Na-2H]- 352.07557 175.0
[M]+ 331.10035 177.2
[M]- 331.10145 177.2
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.