CID 4159665

42559-33-1

Structural Information

Molecular Formula
C34H24S2
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=[S+]2)C3=CC=CC=C3)C4=CC(=[S+]C(=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C34H24S2/c1-5-13-25(14-6-1)31-21-29(22-32(35-31)26-15-7-2-8-16-26)30-23-33(27-17-9-3-10-18-27)36-34(24-30)28-19-11-4-12-20-28/h1-24H/q+2
InChIKey
OIGZSTLEMGPQEQ-UHFFFAOYSA-N
Compound name
4-(2,6-diphenylthiopyrylium-4-yl)-2,6-diphenylthiopyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.13196 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.13924 205.0
[M+Na]+ 519.12118 230.9
[M+NH4]+ 514.16578 218.6
[M+K]+ 535.09512 214.2
[M-H]- 495.12468 223.7
[M+Na-2H]- 517.10663 226.2
[M]+ 496.13141 216.5
[M]- 496.13251 216.5
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.