CID 75481510
Methyl 4-bromo-2-methoxy-5-nitrobenzoate
Structural Information
- Molecular Formula
- C9H8BrNO5
- SMILES
- COC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])Br
- InChI
- InChI=1S/C9H8BrNO5/c1-15-8-4-6(10)7(11(13)14)3-5(8)9(12)16-2/h3-4H,1-2H3
- InChIKey
- PHFYKTLQSPDHOH-UHFFFAOYSA-N
- Compound name
- methyl 4-bromo-2-methoxy-5-nitrobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 289.96588 | 151.4 |
[M+Na]+ | 311.94782 | 162.8 |
[M-H]- | 287.95132 | 158.2 |
[M+NH4]+ | 306.99242 | 170.2 |
[M+K]+ | 327.92176 | 149.6 |
[M+H-H2O]+ | 271.95586 | 154.8 |
[M+HCOO]- | 333.95680 | 174.1 |
[M+CH3COO]- | 347.97245 | 191.3 |
[M+Na-2H]- | 309.93327 | 158.2 |
[M]+ | 288.95805 | 172.9 |
[M]- | 288.95915 | 172.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.