CID 55279944

2-(pyrrolidin-1-yl)ethane-1-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula

C₆H₁₂ClNO₂S

SMILES

C1CCN(C1)CCS(=O)(=O)Cl

InChI

InChI=1S/C6H12ClNO2S/c7-11(9,10)6-5-8-3-1-2-4-8/h1-6H2

InChIKey

HTYRRGFPVSIIBO-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.02773 Da
Monoisotopic Mass: 0.9
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]+	198.03501	141.1
[M+Na]+	220.01695	149.5
[M-H]-	196.02045	143.4
[M+NH4]+	215.06155	162.2
[M+K]+	235.99089	146.5
[M+H-H2O]+	180.02499	136.5
[M+HCOO]-	242.02593	152.6
[M+CH3COO]-	256.04158	176.2
[M+Na-2H]-	218.00240	143.2
[M]+	197.02718	143.2
[M]-	197.02828	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe