CID 131604165

2137728-03-9

Structural Information

Molecular Formula

C₆H₁₁ClO₃S

SMILES

COC1CC(C1)CS(=O)(=O)Cl

InChI

InChI=1S/C6H11ClO3S/c1-10-6-2-5(3-6)4-11(7,8)9/h5-6H,2-4H2,1H3

InChIKey

WGYZOBSOAXJBHW-UHFFFAOYSA-N

Compound name

(3-methoxycyclobutyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.01175 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]+	199.01903	128.7
[M+Na]+	221.00097	135.8
[M-H]-	197.00447	132.4
[M+NH4]+	216.04557	142.9
[M+K]+	236.97491	136.2
[M+H-H2O]+	181.00901	119.7
[M+HCOO]-	243.00995	140.6
[M+CH3COO]-	257.02560	182.1
[M+Na-2H]-	218.98642	132.2
[M]+	198.01120	142.0
[M]-	198.01230	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.