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 147.8
[M+Na]+ 245.03735 153.5
[M-H]- 221.04085 144.3
[M+NH4]+ 240.08195 173.7
[M+K]+ 261.01129 150.4
[M+H-H2O]+ 205.04539 146.0
[M+HCOO]- 267.04633 149.8
[M+CH3COO]- 281.06198 158.2
[M+Na-2H]- 243.02280 159.4
[M]+ 222.04758 152.9
[M]- 222.04868 152.9
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.