CID 633388
(1,2',1',1'',3'',1''',2''',1'''')quinquephenyl
Structural Information
- Molecular Formula
- C30H22
- SMILES
- C1=CC=C(C=C1)C2=CC=CC=C2C3=CC(=CC=C3)C4=CC=CC=C4C5=CC=CC=C5
- InChI
- InChI=1S/C30H22/c1-3-12-23(13-4-1)27-18-7-9-20-29(27)25-16-11-17-26(22-25)30-21-10-8-19-28(30)24-14-5-2-6-15-24/h1-22H
- InChIKey
- PJHQBYBCLZCZNF-UHFFFAOYSA-N
- Compound name
- 1,3-bis(2-phenylphenyl)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 383.17943 | 197.8 |
[M+Na]+ | 405.16137 | 203.7 |
[M-H]- | 381.16487 | 212.0 |
[M+NH4]+ | 400.20597 | 207.4 |
[M+K]+ | 421.13531 | 194.6 |
[M+H-H2O]+ | 365.16941 | 185.1 |
[M+HCOO]- | 427.17035 | 219.3 |
[M+CH3COO]- | 441.18600 | 207.0 |
[M+Na-2H]- | 403.14682 | 201.3 |
[M]+ | 382.17160 | 194.3 |
[M]- | 382.17270 | 194.3 |
Literature stripe
No literature data available for this compound.