CID 55280140

Cyclobutylmethanesulfonyl chloride

Structural Information

Molecular Formula

C₅H₉ClO₂S

SMILES

C1CC(C1)CS(=O)(=O)Cl

InChI

InChI=1S/C5H9ClO2S/c6-9(7,8)4-5-2-1-3-5/h5H,1-4H2

InChIKey

PWKSOBWFPCITKW-UHFFFAOYSA-N

Compound name

cyclobutylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 168.00117 Da
Monoisotopic Mass: 1.7
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]+	169.00845	122.0
[M+Na]+	190.99039	129.0
[M-H]-	166.99389	125.6
[M+NH4]+	186.03499	137.2
[M+K]+	206.96433	129.1
[M+H-H2O]+	150.99843	113.1
[M+HCOO]-	212.99937	134.1
[M+CH3COO]-	227.01502	176.1
[M+Na-2H]-	188.97584	126.5
[M]+	168.00062	133.2
[M]-	168.00172	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe