CID 145711368

Benzo[1,2-b:3,4-b':5,6-b'']trithiophene-2,5,8-tricarbaldehyde

Structural Information

Molecular Formula
C15H6O3S3
SMILES
C1=C(SC2=C1C3=C(C=C(S3)C=O)C4=C2C=C(S4)C=O)C=O
InChI
InChI=1S/C15H6O3S3/c16-4-7-1-10-13(19-7)11-3-9(6-18)21-15(11)12-2-8(5-17)20-14(10)12/h1-6H
InChIKey
VANOLPNZHSSDOC-UHFFFAOYSA-N
Compound name
3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene-4,9,14-tricarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.9479 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.95518 173.3
[M+Na]+ 352.93712 186.6
[M+NH4]+ 347.98172 183.4
[M+K]+ 368.91106 178.1
[M-H]- 328.94062 176.4
[M+Na-2H]- 350.92257 176.2
[M]+ 329.94735 177.7
[M]- 329.94845 177.7
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.