CID 130710652

{bicyclo[2.2.2]octan-2-yl}methanesulfonyl chloride

Structural Information

Molecular Formula
C9H15ClO2S
SMILES
C1CC2CCC1CC2CS(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO2S/c10-13(11,12)6-9-5-7-1-3-8(9)4-2-7/h7-9H,1-6H2
InChIKey
CIOAHLGCMMGWSA-UHFFFAOYSA-N
Compound name
2-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

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05541 140.6
[M+Na]+ 245.03735 150.6
[M+NH4]+ 240.08195 151.7
[M+K]+ 261.01129 141.9
[M-H]- 221.04085 138.2
[M+Na-2H]- 243.02280 139.2
[M]+ 222.04758 142.1
[M]- 222.04868 142.1
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.