CID 11298344

Piperidine-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₁₀ClNO₂S

SMILES

C1CCN(CC1)S(=O)(=O)Cl

InChI

InChI=1S/C5H10ClNO2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2

InChIKey

QQJYAXDCMMXECR-UHFFFAOYSA-N

Compound name

piperidine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 608
Patents: 183.01208 Da
Monoisotopic Mass: 1.1
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]+	184.019356	133.8
[M+Na]+	206.001298	141.3
[M-H]-	182.004804	135.8
[M+NH4]+	201.045903	153.5
[M+K]+	221.975238	138.6
[M+H-H2O]+	166.009340	129.1
[M+HCOO]-	228.010281	143.5
[M+CH3COO]-	242.025931	173.4
[M+Na-2H]-	203.986746	137.9
[M]+	183.01153142	133.3
[M]-	183.01262858	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe