4-Nitroresorcinol
14068
Reference
4-Nitroresorcinol Structure
Systematic / IUPAC Name: 4-Nitrobenzene-1,3-diol
ID: Reference14068
Other Names:
2,4-Dihydroxy-nitrophenol;
AA-2725
Formula: C6H5NO4
Class: Endogenous Metabolites
Spectral Data
4-Nitroresorcinol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 304 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/28/2026 9:45:13 AM |
Identificators
| InChI | InChI=1S/C6H5NO4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H |
| InChI Key | CYEZXDVLBGFROE-UHFFFAOYSA-N |
| Canonical SMILES | O=[N+]([O-])c1ccc(O)cc1O |
| CAS | |
| Splash | |
| Other Names |
2,4-Dihydroxy-nitrophenol; AA-2725 |