CID 50998379
2-bromo-4-chloro-1,3-difluorobenzene
Structural Information
- Molecular Formula
- C6H2BrClF2
- SMILES
- C1=CC(=C(C(=C1F)Br)F)Cl
- InChI
- InChI=1S/C6H2BrClF2/c7-5-4(9)2-1-3(8)6(5)10/h1-2H
- InChIKey
- STPUUBCHYCYFBQ-UHFFFAOYSA-N
- Compound name
- 3-bromo-1-chloro-2,4-difluorobenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 226.90692 | 131.1 |
[M+Na]+ | 248.88886 | 146.7 |
[M-H]- | 224.89236 | 135.9 |
[M+NH4]+ | 243.93346 | 154.5 |
[M+K]+ | 264.86280 | 133.7 |
[M+H-H2O]+ | 208.89690 | 131.6 |
[M+HCOO]- | 270.89784 | 147.8 |
[M+CH3COO]- | 284.91349 | 185.5 |
[M+Na-2H]- | 246.87431 | 138.4 |
[M]+ | 225.89909 | 149.3 |
[M]- | 225.90019 | 149.3 |
Literature stripe
No literature data available for this compound.