CID 16728469

4,5-bis(2-furylmethylsulfanyl)-1,3-dithiole-2-thione; cobalt

Structural Information

Molecular Formula
C13H10O2S5
SMILES
C1=COC(=C1)CSC2=C(SC(=S)S2)SCC3=CC=CO3
InChI
InChI=1S/C13H10O2S5/c16-13-19-11(17-7-9-3-1-5-14-9)12(20-13)18-8-10-4-2-6-15-10/h1-6H,7-8H2
InChIKey
YFEJITCHFHWAPQ-UHFFFAOYSA-N
Compound name
4,5-bis(furan-2-ylmethylsulfanyl)-1,3-dithiole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.92844 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.93572 186.2
[M+Na]+ 380.91766 201.3
[M-H]- 356.92116 196.2
[M+NH4]+ 375.96226 202.7
[M+K]+ 396.89160 193.6
[M+H-H2O]+ 340.92570 185.3
[M+HCOO]- 402.92664 189.5
[M+CH3COO]- 416.94229 197.1
[M+Na-2H]- 378.90311 184.3
[M]+ 357.92789 188.5
[M]- 357.92899 188.5
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.