CID 20455361
2-amino-3-bromo-5-chlorobenzonitrile
Structural Information
- Molecular Formula
- C7H4BrClN2
- SMILES
- C1=C(C=C(C(=C1C#N)N)Br)Cl
- InChI
- InChI=1S/C7H4BrClN2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-2H,11H2
- InChIKey
- BWYLAELWYGJTEX-UHFFFAOYSA-N
- Compound name
- 2-amino-3-bromo-5-chlorobenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 230.93192 | 138.5 |
[M+Na]+ | 252.91386 | 143.5 |
[M+NH4]+ | 247.95846 | 141.4 |
[M+K]+ | 268.88780 | 139.6 |
[M-H]- | 228.91736 | 134.0 |
[M+Na-2H]- | 250.89931 | 140.7 |
[M]+ | 229.92409 | 136.5 |
[M]- | 229.92519 | 136.5 |
Literature stripe
No literature data available for this compound.