CID 75486307
4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline
Structural Information
- Molecular Formula
- C13H16BF4NO2
- SMILES
- B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2N)C(F)(F)F)F
- InChI
- InChI=1S/C13H16BF4NO2/c1-11(2)12(3,4)21-14(20-11)8-6-9(15)7(5-10(8)19)13(16,17)18/h5-6H,19H2,1-4H3
- InChIKey
- YEISGRZUGZBQJW-UHFFFAOYSA-N
- Compound name
- 4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 306.12831 | 160.6 |
[M+Na]+ | 328.11025 | 171.9 |
[M-H]- | 304.11375 | 164.4 |
[M+NH4]+ | 323.15485 | 179.3 |
[M+K]+ | 344.08419 | 170.5 |
[M+H-H2O]+ | 288.11829 | 153.7 |
[M+HCOO]- | 350.11923 | 176.2 |
[M+CH3COO]- | 364.13488 | 206.5 |
[M+Na-2H]- | 326.09570 | 163.8 |
[M]+ | 305.12048 | 157.7 |
[M]- | 305.12158 | 157.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.