CID 120188

2,3,4,8,9,10-hexathiospiro(5.5)undecane

Structural Information

Molecular Formula
C5H8S6
SMILES
C1C2(CSSS1)CSSSC2
InChI
InChI=1S/C5H8S6/c1-5(2-7-10-6-1)3-8-11-9-4-5/h1-4H2
InChIKey
FVKYYBXIDUOQFD-UHFFFAOYSA-N
Compound name
2,3,4,8,9,10-hexathiaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.89502 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.90230 165.6
[M+Na]+ 282.88424 170.0
[M-H]- 258.88774 162.8
[M+NH4]+ 277.92884 179.7
[M+K]+ 298.85818 158.3
[M+H-H2O]+ 242.89228 160.8
[M+HCOO]- 304.89322 151.1
[M+CH3COO]- 318.90887 169.5
[M+Na-2H]- 280.86969 169.3
[M]+ 259.89447 149.2
[M]- 259.89557 149.2
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.