CID 3076050

129679-53-4

Structural Information

Molecular Formula
C8H8O2S2
SMILES
C1CC2C3C(C1OC3=S)C(=S)O2
InChI
InChI=1S/C8H8O2S2/c11-7-5-3-1-2-4(10-7)6(5)8(12)9-3/h3-6H,1-2H2
InChIKey
NOAWTNPDQKYIKX-UHFFFAOYSA-N
Compound name
5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99657 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00385 138.1
[M+Na]+ 222.98579 148.2
[M-H]- 198.98929 143.9
[M+NH4]+ 218.03039 162.2
[M+K]+ 238.95973 147.2
[M+H-H2O]+ 182.99383 136.9
[M+HCOO]- 244.99477 146.9
[M+CH3COO]- 259.01042 152.0
[M+Na-2H]- 220.97124 139.1
[M]+ 199.99602 140.9
[M]- 199.99712 140.9
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.