CID 165598186
3-formyl-1,4-dihydroxynaphthalene-2-carboxylic acid
Structural Information
- Molecular Formula
- C12H8O5
- SMILES
- C1=CC=C2C(=C1)C(=C(C(=C2O)C(=O)O)C=O)O
- InChI
- InChI=1S/C12H8O5/c13-5-8-9(12(16)17)11(15)7-4-2-1-3-6(7)10(8)14/h1-5,14-15H,(H,16,17)
- InChIKey
- QSRFIMAGGCQPDB-UHFFFAOYSA-N
- Compound name
- 3-formyl-1,4-dihydroxynaphthalene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 233.04445 | 144.8 |
[M+Na]+ | 255.02639 | 154.6 |
[M-H]- | 231.02989 | 146.5 |
[M+NH4]+ | 250.07099 | 162.2 |
[M+K]+ | 271.00033 | 151.1 |
[M+H-H2O]+ | 215.03443 | 139.6 |
[M+HCOO]- | 277.03537 | 164.1 |
[M+CH3COO]- | 291.05102 | 185.1 |
[M+Na-2H]- | 253.01184 | 149.6 |
[M]+ | 232.03662 | 145.9 |
[M]- | 232.03772 | 145.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.