CID 119032097

{bicyclo[2.2.2]octan-1-yl}methanesulfonyl chloride

Structural Information

Molecular Formula
C9H15ClO2S
SMILES
C1CC2(CCC1CC2)CS(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO2S/c10-13(11,12)7-9-4-1-8(2-5-9)3-6-9/h8H,1-7H2
InChIKey
WFNMTXBKSKVCOM-UHFFFAOYSA-N
Compound name
1-bicyclo[2.2.2]octanylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.04813 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05541 143.3
[M+Na]+ 245.03735 153.0
[M+NH4]+ 240.08195 155.7
[M+K]+ 261.01129 142.4
[M-H]- 221.04085 140.8
[M+Na-2H]- 243.02280 143.5
[M]+ 222.04758 144.9
[M]- 222.04868 144.9
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.