CID 155978351

{5,8-dioxaspiro[3.5]nonan-7-yl}methanesulfonyl chloride

Structural Information

Molecular Formula
C8H13ClO4S
SMILES
C1CC2(C1)COC(CO2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO4S/c9-14(10,11)5-7-4-13-8(6-12-7)2-1-3-8/h7H,1-6H2
InChIKey
GWOARQOHOYWPDY-UHFFFAOYSA-N
Compound name
5,8-dioxaspiro[3.5]nonan-7-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.02231 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.029586 131.5
[M+Na]+ 263.011528 136.8
[M-H]- 239.015034 137.8
[M+NH4]+ 258.056133 143.4
[M+K]+ 278.985468 139.8
[M+H-H2O]+ 223.019570 123.1
[M+HCOO]- 285.020511 139.2
[M+CH3COO]- 299.036161 185.6
[M+Na-2H]- 260.996976 139.3
[M]+ 240.02176142 142.5
[M]- 240.02285858 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.