CID 132351227

6-oxaspiro[2.5]octane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H11ClO3S
SMILES
C1COCCC12CC2S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClO3S/c8-12(9,10)6-5-7(6)1-3-11-4-2-7/h6H,1-5H2
InChIKey
BFPHREWOMXMOFH-UHFFFAOYSA-N
Compound name
6-oxaspiro[2.5]octane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.01175 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01903 136.8
[M+Na]+ 233.00097 146.1
[M-H]- 209.00447 143.9
[M+NH4]+ 228.04557 152.9
[M+K]+ 248.97491 145.0
[M+H-H2O]+ 193.00901 133.0
[M+HCOO]- 255.00995 146.7
[M+CH3COO]- 269.02560 180.8
[M+Na-2H]- 230.98642 143.8
[M]+ 210.01120 141.0
[M]- 210.01230 141.0
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.