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
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 |
Literature stripe
No literature data available for this compound.