CID 172407722
2759277-82-0
Structural Information
- Molecular Formula
- C12H16BrFO2
- SMILES
- CCCCCCOC1=C(C(=C(C=C1)Br)O)F
- InChI
- InChI=1S/C12H16BrFO2/c1-2-3-4-5-8-16-10-7-6-9(13)12(15)11(10)14/h6-7,15H,2-5,8H2,1H3
- InChIKey
- YVJUDJXSNACMNP-UHFFFAOYSA-N
- Compound name
- 6-bromo-2-fluoro-3-hexoxyphenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 291.03905 | 158.0 |
[M+Na]+ | 313.02099 | 169.3 |
[M-H]- | 289.02449 | 161.7 |
[M+NH4]+ | 308.06559 | 177.3 |
[M+K]+ | 328.99493 | 157.3 |
[M+H-H2O]+ | 273.02903 | 156.9 |
[M+HCOO]- | 335.02997 | 176.8 |
[M+CH3COO]- | 349.04562 | 197.4 |
[M+Na-2H]- | 311.00644 | 162.2 |
[M]+ | 290.03122 | 178.3 |
[M]- | 290.03232 | 178.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.