CID 13728483

98069-37-5

Structural Information

Molecular Formula

C₅H₁₀ClNO₂S

SMILES

C1CCN(C1)S(=O)(=O)CCl

InChI

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

InChIKey

WNUGGCKSNKHGNV-UHFFFAOYSA-N

Compound name

1-(chloromethylsulfonyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.01208 Da
Monoisotopic Mass: 0.7
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]+	184.01936	137.2
[M+Na]+	206.00130	146.8
[M+NH4]+	201.04590	145.3
[M+K]+	221.97524	141.5
[M-H]-	182.00480	136.6
[M+Na-2H]-	203.98675	140.4
[M]+	183.01153	138.9
[M]-	183.01263	138.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.