CID 2761072

101768-64-3

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.05065	154.6
[M+Na]+	282.03259	167.0
[M+NH4]+	277.07719	163.0
[M+K]+	298.00653	158.4
[M-H]-	258.03609	156.9
[M+Na-2H]-	280.01804	161.2
[M]+	259.04282	157.7
[M]-	259.04392	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe