CID 318182
1-[1,1'-biphenyl]-4-yl-4,4,4-trifluoro-1,3-butanedione
Structural Information
- Molecular Formula
- C16H11F3O2
- SMILES
- C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(=O)C(F)(F)F
- InChI
- InChI=1S/C16H11F3O2/c17-16(18,19)15(21)10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
- InChIKey
- ZLQXJKTXGNVKQB-UHFFFAOYSA-N
- Compound name
- 4,4,4-trifluoro-1-(4-phenylphenyl)butane-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 293.07838 | 162.2 |
[M+Na]+ | 315.06032 | 169.5 |
[M-H]- | 291.06382 | 164.8 |
[M+NH4]+ | 310.10492 | 177.0 |
[M+K]+ | 331.03426 | 165.1 |
[M+H-H2O]+ | 275.06836 | 152.2 |
[M+HCOO]- | 337.06930 | 179.8 |
[M+CH3COO]- | 351.08495 | 201.1 |
[M+Na-2H]- | 313.04577 | 164.9 |
[M]+ | 292.07055 | 158.6 |
[M]- | 292.07165 | 158.6 |