CID 979469
Methyl 6-bromo-5-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
Structural Information
- Molecular Formula
- C16H11BrO6
- SMILES
- CC1=C(C2=CC(=C(C=C2O1)Br)OC(=O)C3=CC=CO3)C(=O)OC
- InChI
- InChI=1S/C16H11BrO6/c1-8-14(16(19)20-2)9-6-13(10(17)7-12(9)22-8)23-15(18)11-4-3-5-21-11/h3-7H,1-2H3
- InChIKey
- QNGSKIDWYYTIAZ-UHFFFAOYSA-N
- Compound name
- methyl 6-bromo-5-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 378.98118 | 179.6 |
[M+Na]+ | 400.96312 | 192.9 |
[M-H]- | 376.96662 | 192.4 |
[M+NH4]+ | 396.00772 | 197.5 |
[M+K]+ | 416.93706 | 186.0 |
[M+H-H2O]+ | 360.97116 | 180.5 |
[M+HCOO]- | 422.97210 | 201.0 |
[M+CH3COO]- | 436.98775 | 210.4 |
[M+Na-2H]- | 398.94857 | 182.5 |
[M]+ | 377.97335 | 207.4 |
[M]- | 377.97445 | 207.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.