CID 84071545

2-cyclobutylethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₁ClO₂S

SMILES

C1CC(C1)CCS(=O)(=O)Cl

InChI

InChI=1S/C6H11ClO2S/c7-10(8,9)5-4-6-2-1-3-6/h6H,1-5H2

InChIKey

GWIVVENTRFHWHS-UHFFFAOYSA-N

Compound name

2-cyclobutylethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 182.01683 Da
Monoisotopic Mass: 2.4
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]+	183.02411	126.6
[M+Na]+	205.00605	133.1
[M-H]-	181.00955	130.0
[M+NH4]+	200.05065	141.3
[M+K]+	220.97999	133.0
[M+H-H2O]+	165.01409	117.5
[M+HCOO]-	227.01503	138.3
[M+CH3COO]-	241.03068	179.0
[M+Na-2H]-	202.99150	130.5
[M]+	182.01628	138.2
[M]-	182.01738	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe