CID 3057260

3,5-dichloro-8-thiatricyclo(2.2.1.1(sup 2,6))octane 8,8-dioxide

Structural Information

Molecular Formula
C7H8Cl2O2S
SMILES
C1C2C3C1C(C(C2Cl)S3(=O)=O)Cl
InChI
InChI=1S/C7H8Cl2O2S/c8-4-2-1-3-5(9)7(4)12(10,11)6(2)3/h2-7H,1H2
InChIKey
JPXLUQIXSJWMOS-UHFFFAOYSA-N
Compound name
2,8-dichloro-7lambda6-thiatricyclo[3.2.1.03,6]octane 7,7-dioxide
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

225.9622 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.96948 131.2
[M+Na]+ 248.95142 137.8
[M+NH4]+ 243.99602 139.2
[M+K]+ 264.92536 133.5
[M-H]- 224.95492 128.3
[M+Na-2H]- 246.93687 130.7
[M]+ 225.96165 131.2
[M]- 225.96275 131.2
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.