CID 132398634

2029499-20-3

Structural Information

Molecular Formula
C9H15ClO2S
SMILES
C1CC2(CCC1CS(=O)(=O)Cl)CC2
InChI
InChI=1S/C9H15ClO2S/c10-13(11,12)7-8-1-3-9(4-2-8)5-6-9/h8H,1-7H2
InChIKey
WRDUYBGZNNJROS-UHFFFAOYSA-N
Compound name
spiro[2.5]octan-6-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.04813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05541 142.7
[M+Na]+ 245.03735 151.1
[M-H]- 221.04085 148.6
[M+NH4]+ 240.08195 159.5
[M+K]+ 261.01129 148.0
[M+H-H2O]+ 205.04539 138.7
[M+HCOO]- 267.04633 152.7
[M+CH3COO]- 281.06198 184.5
[M+Na-2H]- 243.02280 147.6
[M]+ 222.04758 145.6
[M]- 222.04868 145.6
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.