CID 138987177
2-chloro-3,6-difluorophenylboronic acid pinacol ester
Structural Information
- Molecular Formula
- C12H14BClF2O2
- SMILES
- B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2Cl)F)F
- InChI
- InChI=1S/C12H14BClF2O2/c1-11(2)12(3,4)18-13(17-11)9-7(15)5-6-8(16)10(9)14/h5-6H,1-4H3
- InChIKey
- MSWLHJPECHYYTK-UHFFFAOYSA-N
- Compound name
- 2-(2-chloro-3,6-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 275.08162 | 149.8 |
[M+Na]+ | 297.06356 | 162.5 |
[M-H]- | 273.06706 | 156.6 |
[M+NH4]+ | 292.10816 | 171.3 |
[M+K]+ | 313.03750 | 160.1 |
[M+H-H2O]+ | 257.07160 | 145.2 |
[M+HCOO]- | 319.07254 | 164.6 |
[M+CH3COO]- | 333.08819 | 197.4 |
[M+Na-2H]- | 295.04901 | 153.9 |
[M]+ | 274.07379 | 153.1 |
[M]- | 274.07489 | 153.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.