CID 45045310

113019-96-8

Structural Information

Molecular Formula
C10H12S8
SMILES
CSC1C2C(C(C3C1SC(=S)S3)SC)SC(=S)S2
InChI
InChI=1S/C10H12S8/c1-13-3-5-7(17-9(11)15-5)4(14-2)8-6(3)16-10(12)18-8/h3-8H,1-2H3
InChIKey
YKHBAVGAVUTSFC-UHFFFAOYSA-N
Compound name
2,8-bis(methylsulfanyl)-4,6,10,12-tetrathiatricyclo[7.3.0.03,7]dodecane-5,11-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.87048 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.87776 224.5
[M+Na]+ 410.85970 231.9
[M-H]- 386.86320 218.4
[M+NH4]+ 405.90430 234.8
[M+K]+ 426.83364 215.3
[M+H-H2O]+ 370.86774 222.0
[M+HCOO]- 432.86868 201.9
[M+CH3COO]- 446.88433 223.4
[M+Na-2H]- 408.84515 225.6
[M]+ 387.86993 205.5
[M]- 387.87103 205.5
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.