CID 217221
38322-72-4
Structural Information
- Molecular Formula
- C13H11BrO4
- SMILES
- CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC(=C2)C)Br
- InChI
- InChI=1S/C13H11BrO4/c1-3-17-13(16)11-6-10(15)8-4-7(2)5-9(14)12(8)18-11/h4-6H,3H2,1-2H3
- InChIKey
- QMWCBNYGYPWUEO-UHFFFAOYSA-N
- Compound name
- ethyl 8-bromo-6-methyl-4-oxochromene-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 310.99135 | 157.2 |
[M+Na]+ | 332.97329 | 170.5 |
[M-H]- | 308.97679 | 165.7 |
[M+NH4]+ | 328.01789 | 176.0 |
[M+K]+ | 348.94723 | 161.1 |
[M+H-H2O]+ | 292.98133 | 156.8 |
[M+HCOO]- | 354.98227 | 176.9 |
[M+CH3COO]- | 368.99792 | 201.7 |
[M+Na-2H]- | 330.95874 | 164.1 |
[M]+ | 309.98352 | 181.2 |
[M]- | 309.98462 | 181.2 |
Literature stripe
No literature data available for this compound.