CID 114517672
Methyl 6-bromo-1-oxo-1,2-dihydroisoquinoline-3-carboxylate
Structural Information
- Molecular Formula
- C11H8BrNO3
- SMILES
- COC(=O)C1=CC2=C(C=CC(=C2)Br)C(=O)N1
- InChI
- InChI=1S/C11H8BrNO3/c1-16-11(15)9-5-6-4-7(12)2-3-8(6)10(14)13-9/h2-5H,1H3,(H,13,14)
- InChIKey
- JAVFZBROVFFBFR-UHFFFAOYSA-N
- Compound name
- methyl 6-bromo-1-oxo-2H-isoquinoline-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.97603 | 148.9 |
[M+Na]+ | 303.95797 | 161.9 |
[M-H]- | 279.96147 | 154.2 |
[M+NH4]+ | 299.00257 | 168.0 |
[M+K]+ | 319.93191 | 150.3 |
[M+H-H2O]+ | 263.96601 | 148.7 |
[M+HCOO]- | 325.96695 | 167.5 |
[M+CH3COO]- | 339.98260 | 192.9 |
[M+Na-2H]- | 301.94342 | 156.5 |
[M]+ | 280.96820 | 168.9 |
[M]- | 280.96930 | 168.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.