CID 323129
53158-83-1
Structural Information
- Molecular Formula
- C32H22
- SMILES
- CCC1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C#CC4=CC=CC=C4)C#CC5=CC=CC=C5
- InChI
- InChI=1S/C32H22/c1-2-24-17-20-31-29(21-18-25-11-5-3-6-12-25)27-15-9-10-16-28(27)30(32(31)23-24)22-19-26-13-7-4-8-14-26/h3-17,20,23H,2H2,1H3
- InChIKey
- KXTNQYWZDLPDLS-UHFFFAOYSA-N
- Compound name
- 2-ethyl-9,10-bis(2-phenylethynyl)anthracene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 407.17943 | 215.8 |
[M+Na]+ | 429.16137 | 229.0 |
[M-H]- | 405.16487 | 219.5 |
[M+NH4]+ | 424.20597 | 223.2 |
[M+K]+ | 445.13531 | 211.0 |
[M+H-H2O]+ | 389.16941 | 198.5 |
[M+HCOO]- | 451.17035 | 222.4 |
[M+CH3COO]- | 465.18600 | 219.2 |
[M+Na-2H]- | 427.14682 | 213.9 |
[M]+ | 406.17160 | 206.5 |
[M]- | 406.17270 | 206.5 |
Literature stripe
No literature data available for this compound.