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
Annotation Hits

0
References

0
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 136.5
[M+Na]+ 248.95142 147.9
[M-H]- 224.95492 140.4
[M+NH4]+ 243.99602 158.9
[M+K]+ 264.92536 145.3
[M+H-H2O]+ 208.95946 132.9
[M+HCOO]- 270.96040 143.0
[M+CH3COO]- 284.97605 188.8
[M+Na-2H]- 246.93687 138.9
[M]+ 225.96165 151.8
[M]- 225.96275 151.8
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.