CID 3076048

129679-51-2

Structural Information

Molecular Formula
C8H8OS3
SMILES
C1CC2C3C(C1SC3=O)C(=S)S2
InChI
InChI=1S/C8H8OS3/c9-7-5-3-1-2-4(11-7)6(5)8(10)12-3/h3-6H,1-2H2
InChIKey
PSJHEFDQZXRQHY-UHFFFAOYSA-N
Compound name
9-sulfanylidene-5,10-dithiatricyclo[5.3.0.04,8]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.97372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98100 142.1
[M+Na]+ 238.96294 150.1
[M+NH4]+ 234.00754 153.2
[M+K]+ 254.93688 142.0
[M-H]- 214.96644 143.8
[M+Na-2H]- 236.94839 141.4
[M]+ 215.97317 145.0
[M]- 215.97427 145.0
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.