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]+ 225.03467 140.2
[M+Na]+ 247.01661 144.9
[M+NH4]+ 242.06121 147.1
[M+K]+ 262.99055 142.4
[M-H]- 223.02011 138.1
[M+Na-2H]- 245.00206 138.6
[M]+ 224.02684 140.8
[M]- 224.02794 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.