CID 137945486
4,4,5,5-tetramethyl-2-[3-(3,3,3-trifluoropropyl)bicyclo[1.1.1]pentan-1-yl]-1,3,2-dioxaborolane
Structural Information
- Molecular Formula
- C14H22BF3O2
- SMILES
- B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)CCC(F)(F)F
- InChI
- InChI=1S/C14H22BF3O2/c1-10(2)11(3,4)20-15(19-10)13-7-12(8-13,9-13)5-6-14(16,17)18/h5-9H2,1-4H3
- InChIKey
- XRRMRUUWZCKWHO-UHFFFAOYSA-N
- Compound name
- 4,4,5,5-tetramethyl-2-[3-(3,3,3-trifluoropropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 291.17378 | 173.8 |
[M+Na]+ | 313.15572 | 178.4 |
[M-H]- | 289.15922 | 178.0 |
[M+NH4]+ | 308.20032 | 179.6 |
[M+K]+ | 329.12966 | 183.0 |
[M+H-H2O]+ | 273.16376 | 163.8 |
[M+HCOO]- | 335.16470 | 180.5 |
[M+CH3COO]- | 349.18035 | 224.0 |
[M+Na-2H]- | 311.14117 | 178.6 |
[M]+ | 290.16595 | 197.7 |
[M]- | 290.16705 | 197.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.