CID 1904335
Hexyl 2,7-dinitro-9-oxofluorene-4-carboxylate
Structural Information
- Molecular Formula
- C20H18N2O7
- SMILES
- CCCCCCOC(=O)C1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
- InChI
- InChI=1S/C20H18N2O7/c1-2-3-4-5-8-29-20(24)17-11-13(22(27)28)10-16-18(17)14-7-6-12(21(25)26)9-15(14)19(16)23/h6-7,9-11H,2-5,8H2,1H3
- InChIKey
- ZLXDCLKHQHPCEZ-UHFFFAOYSA-N
- Compound name
- hexyl 2,7-dinitro-9-oxofluorene-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 399.11868 | 195.6 |
[M+Na]+ | 421.10062 | 199.9 |
[M-H]- | 397.10412 | 200.5 |
[M+NH4]+ | 416.14522 | 207.7 |
[M+K]+ | 437.07456 | 188.5 |
[M+H-H2O]+ | 381.10866 | 196.8 |
[M+HCOO]- | 443.10960 | 216.9 |
[M+CH3COO]- | 457.12525 | 212.7 |
[M+Na-2H]- | 419.08607 | 200.6 |
[M]+ | 398.11085 | 197.7 |
[M]- | 398.11195 | 197.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.