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 220.3
[M+Na]+ 435.13555 234.2
[M-H]- 411.13905 223.5
[M+NH4]+ 430.18015 229.4
[M+K]+ 451.10949 215.0
[M+H-H2O]+ 395.14359 203.5
[M+HCOO]- 457.14453 224.4
[M+CH3COO]- 471.16018 223.2
[M+Na-2H]- 433.12100 219.1
[M]+ 412.14578 209.2
[M]- 412.14688 209.2
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

patents stripe