CID 495515
Chembl2311007
Structural Information
- Molecular Formula
- C17H18BF3NO
- SMILES
- [B-]1(NC(C(O1)C2=CC=CC=C2)C)(C)C3=CC=C(C=C3)C(F)(F)F
- InChI
- InChI=1S/C17H18BF3NO/c1-12-16(13-6-4-3-5-7-13)23-18(2,22-12)15-10-8-14(9-11-15)17(19,20)21/h3-12,16,22H,1-2H3/q-1
- InChIKey
- ODFAFZCXUSLJEA-UHFFFAOYSA-N
- Compound name
- 2,4-dimethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1-oxa-3-aza-2-boranuidacyclopentane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.15062 | 167.7 |
[M+Na]+ | 343.13256 | 175.3 |
[M-H]- | 319.13606 | 170.2 |
[M+NH4]+ | 338.17716 | 181.8 |
[M+K]+ | 359.10650 | 170.2 |
[M+H-H2O]+ | 303.14060 | 159.9 |
[M+HCOO]- | 365.14154 | 181.3 |
[M+CH3COO]- | 379.15719 | 199.8 |
[M+Na-2H]- | 341.11801 | 169.3 |
[M]+ | 320.14279 | 159.4 |
[M]- | 320.14389 | 159.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.