CID 16728471

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

Structural Information

Molecular Formula
C13H10S7
SMILES
C1=CSC(=C1)CSC2=C(SC(=S)S2)SCC3=CC=CS3
InChI
InChI=1S/C13H10S7/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
BBPFLSJYUJJHNS-UHFFFAOYSA-N
Compound name
4,5-bis(thiophen-2-ylmethylsulfanyl)-1,3-dithiole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.88275 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.89003 212.8
[M+Na]+ 412.87197 227.1
[M-H]- 388.87547 216.6
[M+NH4]+ 407.91657 226.8
[M+K]+ 428.84591 211.8
[M+H-H2O]+ 372.88001 210.0
[M+HCOO]- 434.88095 204.7
[M+CH3COO]- 448.89660 218.0
[M+Na-2H]- 410.85742 211.0
[M]+ 389.88220 203.8
[M]- 389.88330 203.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.