CID 392907

Nsc694089

Structural Information

Molecular Formula
C12H10S10
SMILES
CSC1=C(SC(=C2SC3=C(S2)SC(=C4SCCS4)S3)S1)SC
InChI
InChI=1S/C12H10S10/c1-13-5-6(14-2)18-9(17-5)10-21-11-12(22-10)20-8(19-11)7-15-3-4-16-7/h3-4H2,1-2H3
InChIKey
WDQXSEVUMALCBY-UHFFFAOYSA-N
Compound name
5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-(1,3-dithiolan-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.79895 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.80623 280.1
[M+Na]+ 496.78817 290.2
[M-H]- 472.79167 275.9
[M+NH4]+ 491.83277 287.2
[M+K]+ 512.76211 272.2
[M+H-H2O]+ 456.79621 278.6
[M+HCOO]- 518.79715 257.9
[M+CH3COO]- 532.81280 275.4
[M+Na-2H]- 494.77362 279.4
[M]+ 473.79840 254.9
[M]- 473.79950 254.9
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.