CID 132342178

2137854-82-9

Structural Information

Molecular Formula
C8H13ClO3S
SMILES
C1CC2(C1)CCC(O2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO3S/c9-13(10,11)6-7-2-5-8(12-7)3-1-4-8/h7H,1-6H2
InChIKey
YPIROZHLPTYHTN-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.4]octan-6-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.034666 133.6
[M+Na]+ 247.016608 140.0
[M-H]- 223.020114 139.7
[M+NH4]+ 242.061213 149.3
[M+K]+ 262.990548 141.0
[M+H-H2O]+ 207.024650 126.2
[M+HCOO]- 269.025591 143.8
[M+CH3COO]- 283.041241 183.0
[M+Na-2H]- 245.002056 138.6
[M]+ 224.02684142 144.8
[M]- 224.02793858 144.8
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.