CID 169320

31559-43-0

Structural Information

Molecular Formula
C34H22O2
SMILES
C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(C4=CC5=CC=CC=C5C=C42)(C#CC6=CC=CC=C6)O)O
InChI
InChI=1S/C34H22O2/c35-33(21-19-25-11-3-1-4-12-25)29-17-9-10-18-30(29)34(36,22-20-26-13-5-2-6-14-26)32-24-28-16-8-7-15-27(28)23-31(32)33/h1-18,23-24,35-36H
InChIKey
YMKQDNKFEZLLTK-UHFFFAOYSA-N
Compound name
5,12-bis(2-phenylethynyl)tetracene-5,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.162 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.16928 226.4
[M+Na]+ 485.15122 239.4
[M+NH4]+ 480.19582 229.6
[M+K]+ 501.12516 221.9
[M-H]- 461.15472 220.2
[M+Na-2H]- 483.13667 228.0
[M]+ 462.16145 225.9
[M]- 462.16255 225.9
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.