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]+ 241.02959 146.7
[M+Na]+ 263.01153 154.0
[M-H]- 239.01503 153.4
[M+NH4]+ 258.05613 166.9
[M+K]+ 278.98547 153.8
[M+H-H2O]+ 223.01957 144.0
[M+HCOO]- 285.02051 155.2
[M+CH3COO]- 299.03616 180.5
[M+Na-2H]- 260.99698 152.2
[M]+ 240.02176 147.8
[M]- 240.02286 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.