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 147.0
[M+Na]+ 245.03735 152.5
[M-H]- 221.04085 143.6
[M+NH4]+ 240.08195 171.2
[M+K]+ 261.01129 149.5
[M+H-H2O]+ 205.04539 145.3
[M+HCOO]- 267.04633 149.0
[M+CH3COO]- 281.06198 157.3
[M+Na-2H]- 243.02280 156.8
[M]+ 222.04758 152.1
[M]- 222.04868 152.1
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.