CID 3056923

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

Structural Information

Molecular Formula
C7H8Cl2S
SMILES
C1C2C3C1C(C(C2Cl)S3)Cl
InChI
InChI=1S/C7H8Cl2S/c8-4-2-1-3-5(9)7(4)10-6(2)3/h2-7H,1H2
InChIKey
YFYGZJPGAZBXRC-UHFFFAOYSA-N
Compound name
2,8-dichloro-7-thiatricyclo[3.2.1.03,6]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.97238 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.97966 122.6
[M+Na]+ 216.96160 129.7
[M+NH4]+ 212.00620 130.9
[M+K]+ 232.93554 126.2
[M-H]- 192.96510 121.1
[M+Na-2H]- 214.94705 122.0
[M]+ 193.97183 123.0
[M]- 193.97293 123.0
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.