CID 132398509

2168520-78-1

Structural Information

Molecular Formula

C₇H₁₁ClO₂S

SMILES

C1CC12CC(C2)CS(=O)(=O)Cl

InChI

InChI=1S/C7H11ClO2S/c8-11(9,10)5-6-3-7(4-6)1-2-7/h6H,1-5H2

InChIKey

DWMYOOJLLAIWTO-UHFFFAOYSA-N

Compound name

spiro[2.3]hexan-5-ylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.01683 Da
Monoisotopic Mass: 2.1
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]+	195.02411	126.7
[M+Na]+	217.00605	135.2
[M-H]-	193.00955	133.1
[M+NH4]+	212.05065	138.6
[M+K]+	232.97999	135.0
[M+H-H2O]+	177.01409	118.5
[M+HCOO]-	239.01503	138.3
[M+CH3COO]-	253.03068	183.7
[M+Na-2H]-	214.99150	132.8
[M]+	194.01628	140.3
[M]-	194.01738	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.