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 230.4
[M+Na]+ 519.12118 236.1
[M-H]- 495.12468 246.2
[M+NH4]+ 514.16578 235.4
[M+K]+ 535.09512 215.1
[M+H-H2O]+ 479.12922 222.4
[M+HCOO]- 541.13016 241.2
[M+CH3COO]- 555.14581 236.0
[M+Na-2H]- 517.10663 233.1
[M]+ 496.13141 226.2
[M]- 496.13251 226.2
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.