CID 392909

Nsc694091

Structural Information

Molecular Formula
C18H8S8
SMILES
C1=CC=C2C(=C1)SC3=C(S2)SC(=C4SC5=C(S4)SC6=CC=CC=C6S5)S3
InChI
InChI=1S/C18H8S8/c1-2-6-10-9(5-1)19-13-14(20-10)24-17(23-13)18-25-15-16(26-18)22-12-8-4-3-7-11(12)21-15/h1-8H
InChIKey
DMGYONZRUJKUSZ-UHFFFAOYSA-N
Compound name
2-([1,3]dithiolo[4,5-b][1,4]benzodithiin-2-ylidene)-[1,3]dithiolo[4,5-b][1,4]benzodithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.83917 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.84645 237.0
[M+Na]+ 502.82839 247.7
[M-H]- 478.83189 234.3
[M+NH4]+ 497.87299 247.3
[M+K]+ 518.80233 232.4
[M+H-H2O]+ 462.83643 237.6
[M+HCOO]- 524.83737 219.0
[M+CH3COO]- 538.85302 236.9
[M+Na-2H]- 500.81384 245.8
[M]+ 479.83862 221.2
[M]- 479.83972 221.2
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.