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 132.1
[M+Na]+ 216.96160 142.1
[M-H]- 192.96510 135.5
[M+NH4]+ 212.00620 153.9
[M+K]+ 232.93554 140.0
[M+H-H2O]+ 176.96964 127.0
[M+HCOO]- 238.97058 138.0
[M+CH3COO]- 252.98623 145.6
[M+Na-2H]- 214.94705 133.3
[M]+ 193.97183 145.4
[M]- 193.97293 145.4
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.