CID 459343
3-amino-4-bromo-2-anthraquinonecarboxylic acid
Structural Information
- Molecular Formula
- C15H8BrNO4
- SMILES
- C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)Br)N)C(=O)O
- InChI
- InChI=1S/C15H8BrNO4/c16-11-10-8(5-9(12(11)17)15(20)21)13(18)6-3-1-2-4-7(6)14(10)19/h1-5H,17H2,(H,20,21)
- InChIKey
- NVNLUZUQLPMRKT-UHFFFAOYSA-N
- Compound name
- 3-amino-4-bromo-9,10-dioxoanthracene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 345.97096 | 166.3 |
[M+Na]+ | 367.95290 | 178.7 |
[M-H]- | 343.95640 | 173.0 |
[M+NH4]+ | 362.99750 | 184.2 |
[M+K]+ | 383.92684 | 166.5 |
[M+H-H2O]+ | 327.96094 | 165.3 |
[M+HCOO]- | 389.96188 | 183.2 |
[M+CH3COO]- | 403.97753 | 210.0 |
[M+Na-2H]- | 365.93835 | 170.9 |
[M]+ | 344.96313 | 184.4 |
[M]- | 344.96423 | 184.4 |
Literature stripe
No literature data available for this compound.