CID 16728470

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

Structural Information

Molecular Formula
C13H10OS6
SMILES
C1=CSC(=C1)CSC2=C(SC(=O)S2)SCC3=CC=CS3
InChI
InChI=1S/C13H10OS6/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
GVNJAIQLBBTTBT-UHFFFAOYSA-N
Compound name
4,5-bis(thiophen-2-ylmethylsulfanyl)-1,3-dithiol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.90558 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.91286 199.1
[M+Na]+ 396.89480 213.5
[M-H]- 372.89830 205.4
[M+NH4]+ 391.93940 215.3
[M+K]+ 412.86874 201.0
[M+H-H2O]+ 356.90284 196.6
[M+HCOO]- 418.90378 196.5
[M+CH3COO]- 432.91943 207.0
[M+Na-2H]- 394.88025 196.9
[M]+ 373.90503 196.0
[M]- 373.90613 196.0
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.