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 144.4
[M+Na]+ 238.96294 154.3
[M-H]- 214.96644 147.8
[M+NH4]+ 234.00754 169.7
[M+K]+ 254.93688 149.9
[M+H-H2O]+ 198.97098 142.8
[M+HCOO]- 260.97192 148.4
[M+CH3COO]- 274.98757 156.7
[M+Na-2H]- 236.94839 143.2
[M]+ 215.97317 145.1
[M]- 215.97427 145.1
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.