CID 115036467
3-(3-bromophenyl)-2-fluoropropanenitrile
Structural Information
- Molecular Formula
- C9H7BrFN
- SMILES
- C1=CC(=CC(=C1)Br)CC(C#N)F
- InChI
- InChI=1S/C9H7BrFN/c10-8-3-1-2-7(4-8)5-9(11)6-12/h1-4,9H,5H2
- InChIKey
- JKKMQHCBWKPLLZ-UHFFFAOYSA-N
- Compound name
- 3-(3-bromophenyl)-2-fluoropropanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.98188 | 137.6 |
[M+Na]+ | 249.96382 | 150.8 |
[M-H]- | 225.96732 | 141.0 |
[M+NH4]+ | 245.00842 | 157.1 |
[M+K]+ | 265.93776 | 139.0 |
[M+H-H2O]+ | 209.97186 | 130.3 |
[M+HCOO]- | 271.97280 | 156.6 |
[M+CH3COO]- | 285.98845 | 198.8 |
[M+Na-2H]- | 247.94927 | 143.9 |
[M]+ | 226.97405 | 148.1 |
[M]- | 226.97515 | 148.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.