CID 55280307

1,4-dioxaspiro[4.5]decane-8-sulfonyl chloride

Structural Information

Molecular Formula
C8H13ClO4S
SMILES
C1CC2(CCC1S(=O)(=O)Cl)OCCO2
InChI
InChI=1S/C8H13ClO4S/c9-14(10,11)7-1-3-8(4-2-7)12-5-6-13-8/h7H,1-6H2
InChIKey
UJVGMYFOZBPBCH-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decane-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.02231 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.029586 146.7
[M+Na]+ 263.011528 154.0
[M-H]- 239.015034 153.4
[M+NH4]+ 258.056133 166.9
[M+K]+ 278.985468 153.8
[M+H-H2O]+ 223.019570 144.0
[M+HCOO]- 285.020511 155.2
[M+CH3COO]- 299.036161 180.5
[M+Na-2H]- 260.996976 152.2
[M]+ 240.02176142 147.8
[M]- 240.02285858 147.8
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.