CID 85775

14825-85-5

Structural Information

Molecular Formula
C30H20O2
SMILES
C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(C4=CC=CC=C42)(C#CC5=CC=CC=C5)O)O
InChI
InChI=1S/C30H20O2/c31-29(21-19-23-11-3-1-4-12-23)25-15-7-9-17-27(25)30(32,28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18,31-32H
InChIKey
QLNUHXMKEJWHAP-UHFFFAOYSA-N
Compound name
9,10-bis(2-phenylethynyl)anthracene-9,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

412.14633 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15361 213.8
[M+Na]+ 435.13555 226.2
[M+NH4]+ 430.18015 216.8
[M+K]+ 451.10949 209.6
[M-H]- 411.13905 206.9
[M+Na-2H]- 433.12100 215.9
[M]+ 412.14578 213.0
[M]- 412.14688 213.0
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

patents stripe