CID 24213794
3-(4-bromo-2-fluorophenyl)-3-oxopropanenitrile
Structural Information
- Molecular Formula
- C9H5BrFNO
- SMILES
- C1=CC(=C(C=C1Br)F)C(=O)CC#N
- InChI
- InChI=1S/C9H5BrFNO/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5H,3H2
- InChIKey
- JYQGDFCINOSMOC-UHFFFAOYSA-N
- Compound name
- 3-(4-bromo-2-fluorophenyl)-3-oxopropanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.96114 | 138.6 |
[M+Na]+ | 263.94308 | 152.7 |
[M-H]- | 239.94658 | 142.4 |
[M+NH4]+ | 258.98768 | 157.8 |
[M+K]+ | 279.91702 | 141.0 |
[M+H-H2O]+ | 223.95112 | 131.4 |
[M+HCOO]- | 285.95206 | 158.0 |
[M+CH3COO]- | 299.96771 | 200.6 |
[M+Na-2H]- | 261.92853 | 144.3 |
[M]+ | 240.95331 | 150.0 |
[M]- | 240.95441 | 150.0 |
Literature stripe
No literature data available for this compound.