CID 202820

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

Structural Information

Molecular Formula
C7H8Cl2OS
SMILES
C1C2C3C(C1C(C2S3=O)Cl)Cl
InChI
InChI=1S/C7H8Cl2OS/c8-4-2-1-3-6(4)11(10)7(3)5(2)9/h2-7H,1H2
InChIKey
QITDJLZWBRGDSG-UHFFFAOYSA-N
Compound name
2,8-dichloro-4lambda4-thiatricyclo[3.2.1.03,6]octane 4-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.96729 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97457 134.7
[M+Na]+ 232.95651 145.4
[M-H]- 208.96001 138.4
[M+NH4]+ 228.00111 156.0
[M+K]+ 248.93045 143.2
[M+H-H2O]+ 192.96455 130.0
[M+HCOO]- 254.96549 140.9
[M+CH3COO]- 268.98114 148.3
[M+Na-2H]- 230.94196 135.5
[M]+ 209.96674 149.0
[M]- 209.96784 149.0
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.