CID 5278374
Benzoxazole, 2-[1,1-difluoro-2-(4-fluorophenyl)-2-methoxyethyl]-
Structural Information
- Molecular Formula
- C16H12F3NO2
- SMILES
- COC(C1=CC=C(C=C1)F)C(C2=NC3=CC=CC=C3O2)(F)F
- InChI
- InChI=1S/C16H12F3NO2/c1-21-14(10-6-8-11(17)9-7-10)16(18,19)15-20-12-4-2-3-5-13(12)22-15/h2-9,14H,1H3
- InChIKey
- NINCSIQVCZZDEB-UHFFFAOYSA-N
- Compound name
- 2-[1,1-difluoro-2-(4-fluorophenyl)-2-methoxyethyl]-1,3-benzoxazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 308.08928 | 165.7 |
[M+Na]+ | 330.07122 | 176.0 |
[M-H]- | 306.07472 | 169.6 |
[M+NH4]+ | 325.11582 | 180.7 |
[M+K]+ | 346.04516 | 172.4 |
[M+H-H2O]+ | 290.07926 | 155.6 |
[M+HCOO]- | 352.08020 | 183.7 |
[M+CH3COO]- | 366.09585 | 203.6 |
[M+Na-2H]- | 328.05667 | 171.0 |
[M]+ | 307.08145 | 166.9 |
[M]- | 307.08255 | 166.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.