CID 68666071
1186334-80-4
Structural Information
- Molecular Formula
- C14H16BF3N2O2
- SMILES
- B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=C(C=C2)C(F)(F)F
- InChI
- InChI=1S/C14H16BF3N2O2/c1-12(2)13(3,4)22-15(21-12)10-6-5-9(14(16,17)18)11-8(10)7-19-20-11/h5-7H,1-4H3,(H,19,20)
- InChIKey
- GRPZTCCRPPNGAZ-UHFFFAOYSA-N
- Compound name
- 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1H-indazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 313.13298 | 163.3 |
[M+Na]+ | 335.11492 | 175.9 |
[M-H]- | 311.11842 | 166.1 |
[M+NH4]+ | 330.15952 | 181.5 |
[M+K]+ | 351.08886 | 173.2 |
[M+H-H2O]+ | 295.12296 | 156.0 |
[M+HCOO]- | 357.12390 | 177.2 |
[M+CH3COO]- | 371.13955 | 201.4 |
[M+Na-2H]- | 333.10037 | 167.5 |
[M]+ | 312.12515 | 163.7 |
[M]- | 312.12625 | 163.7 |
Literature stripe
No literature data available for this compound.