CID 2761072

4-((4-chlorophenyl)sulfonyl)piperidine hydrochloride

Structural Information

Molecular Formula
C11H14ClNO2S
SMILES
C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H14ClNO2S/c12-9-1-3-10(4-2-9)16(14,15)11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKey
KZMZUOWQIRVCRK-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)sulfonylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

259.04337 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05065 153.9
[M+Na]+ 282.03259 160.9
[M-H]- 258.03609 157.5
[M+NH4]+ 277.07719 169.8
[M+K]+ 298.00653 155.2
[M+H-H2O]+ 242.04063 148.0
[M+HCOO]- 304.04157 161.8
[M+CH3COO]- 318.05722 185.7
[M+Na-2H]- 280.01804 156.8
[M]+ 259.04282 151.9
[M]- 259.04392 151.9
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

patents stripe