CID 5190868

4-(phenylsulfonyl)piperidine hydrochloride

Structural Information

Molecular Formula
C11H15NO2S
SMILES
C1CNCCC1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKey
PMIWSPDQRMEORO-UHFFFAOYSA-N
Compound name
4-(benzenesulfonyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

225.08235 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.089626 148.4
[M+Na]+ 248.071568 154.0
[M-H]- 224.075074 151.6
[M+NH4]+ 243.116173 164.5
[M+K]+ 264.045508 149.8
[M+H-H2O]+ 208.079610 141.6
[M+HCOO]- 270.080551 161.0
[M+CH3COO]- 284.096201 180.8
[M+Na-2H]- 246.057016 152.4
[M]+ 225.08180142 144.1
[M]- 225.08289858 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe