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]+ 241.02959 131.5
[M+Na]+ 263.01153 136.8
[M-H]- 239.01503 137.8
[M+NH4]+ 258.05613 143.4
[M+K]+ 278.98547 139.8
[M+H-H2O]+ 223.01957 123.1
[M+HCOO]- 285.02051 139.2
[M+CH3COO]- 299.03616 185.6
[M+Na-2H]- 260.99698 139.3
[M]+ 240.02176 142.5
[M]- 240.02286 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.