CID 16217825
849052-20-6
Structural Information
- Molecular Formula
- C9H11BBrFO3
- SMILES
- B(C1=C(C=CC(=C1Br)OCCC)F)(O)O
- InChI
- InChI=1S/C9H11BBrFO3/c1-2-5-15-7-4-3-6(12)8(9(7)11)10(13)14/h3-4,13-14H,2,5H2,1H3
- InChIKey
- AIRJDYNENADRSB-UHFFFAOYSA-N
- Compound name
- (2-bromo-6-fluoro-3-propoxyphenyl)boronic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.00414 | 150.9 |
[M+Na]+ | 298.98608 | 162.2 |
[M-H]- | 274.98958 | 153.7 |
[M+NH4]+ | 294.03068 | 169.8 |
[M+K]+ | 314.96002 | 150.8 |
[M+H-H2O]+ | 258.99412 | 150.1 |
[M+HCOO]- | 320.99506 | 168.3 |
[M+CH3COO]- | 335.01071 | 191.6 |
[M+Na-2H]- | 296.97153 | 154.6 |
[M]+ | 275.99631 | 169.4 |
[M]- | 275.99741 | 169.4 |
Literature stripe
No literature data available for this compound.