CID 5484533
9,10-anthracenedione, 1-amino-4,5-dinitro-
Structural Information
- Molecular Formula
- C14H7N3O6
- SMILES
- C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)N)[N+](=O)[O-]
- InChI
- InChI=1S/C14H7N3O6/c15-7-4-5-9(17(22)23)12-11(7)13(18)6-2-1-3-8(16(20)21)10(6)14(12)19/h1-5H,15H2
- InChIKey
- CRZSPFNSBLLXFJ-UHFFFAOYSA-N
- Compound name
- 1-amino-4,5-dinitroanthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 314.04076 | 162.6 |
[M+Na]+ | 336.02270 | 169.4 |
[M-H]- | 312.02620 | 167.8 |
[M+NH4]+ | 331.06730 | 176.1 |
[M+K]+ | 351.99664 | 158.0 |
[M+H-H2O]+ | 296.03074 | 163.9 |
[M+HCOO]- | 358.03168 | 185.1 |
[M+CH3COO]- | 372.04733 | 199.1 |
[M+Na-2H]- | 334.00815 | 171.9 |
[M]+ | 313.03293 | 159.5 |
[M]- | 313.03403 | 159.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.