CID 16072117

4,5-bis(2-furylmethylsulfanyl)-1,3-dithiol-2-one; cobalt

Structural Information

Molecular Formula
C13H10O3S4
SMILES
C1=COC(=C1)CSC2=C(SC(=O)S2)SCC3=CC=CO3
InChI
InChI=1S/C13H10O3S4/c14-13-19-11(17-7-9-3-1-5-15-9)12(20-13)18-8-10-4-2-6-16-10/h1-6H,7-8H2
InChIKey
WYHSGMQNEYUBBA-UHFFFAOYSA-N
Compound name
4,5-bis(furan-2-ylmethylsulfanyl)-1,3-dithiol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.9513 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.95858 178.4
[M+Na]+ 364.94052 193.0
[M-H]- 340.94402 190.2
[M+NH4]+ 359.98512 196.2
[M+K]+ 380.91446 188.0
[M+H-H2O]+ 324.94856 177.2
[M+HCOO]- 386.94950 187.4
[M+CH3COO]- 400.96515 191.1
[M+Na-2H]- 362.92597 176.5
[M]+ 341.95075 185.3
[M]- 341.95185 185.3
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.