CID 137963776

6-oxabicyclo[3.2.2]nonane-4-sulfonyl chloride

Structural Information

Molecular Formula
C8H13ClO3S
SMILES
C1CC2C(CCC1CO2)S(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO3S/c9-13(10,11)8-4-2-6-1-3-7(8)12-5-6/h6-8H,1-5H2
InChIKey
DLKYICXYYBUVMG-UHFFFAOYSA-N
Compound name
6-oxabicyclo[3.2.2]nonane-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.034666 152.7
[M+Na]+ 247.016608 161.3
[M-H]- 223.020114 154.1
[M+NH4]+ 242.061213 172.7
[M+K]+ 262.990548 160.3
[M+H-H2O]+ 207.024650 155.0
[M+HCOO]- 269.025591 156.3
[M+CH3COO]- 283.041241 162.6
[M+Na-2H]- 245.002056 162.3
[M]+ 224.02684142 155.1
[M]- 224.02793858 155.1
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.