CID 165982619
2-[3-(chloromethyl)bicyclo[1.1.1]pentan-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Structural Information
- Molecular Formula
- C12H20BClO2
- SMILES
- B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)CCl
- InChI
- InChI=1S/C12H20BClO2/c1-9(2)10(3,4)16-13(15-9)12-5-11(6-12,7-12)8-14/h5-8H2,1-4H3
- InChIKey
- YPDKYBPJOHCOPS-UHFFFAOYSA-N
- Compound name
- 2-[3-(chloromethyl)-1-bicyclo[1.1.1]pentanyl]-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]+ | 243.13176 | 148.4 |
[M+Na]+ | 265.11370 | 154.5 |
[M-H]- | 241.11720 | 155.5 |
[M+NH4]+ | 260.15830 | 156.6 |
[M+K]+ | 281.08764 | 158.2 |
[M+H-H2O]+ | 225.12174 | 141.0 |
[M+HCOO]- | 287.12268 | 156.5 |
[M+CH3COO]- | 301.13833 | 216.7 |
[M+Na-2H]- | 263.09915 | 155.8 |
[M]+ | 242.12393 | 176.4 |
[M]- | 242.12503 | 176.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.