CID 4421615
Disperse violet 8
Structural Information
- Molecular Formula
- C14H9N3O4
- SMILES
- C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)N)N
- InChI
- InChI=1S/C14H9N3O4/c15-7-4-5-8(16)12-11(7)13(18)6-2-1-3-9(17(20)21)10(6)14(12)19/h1-5H,15-16H2
- InChIKey
- SDICTISQCKLMEB-UHFFFAOYSA-N
- Compound name
- 1,4-diamino-5-nitroanthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 284.06658 | 156.1 |
[M+Na]+ | 306.04852 | 164.9 |
[M-H]- | 282.05202 | 161.4 |
[M+NH4]+ | 301.09312 | 172.3 |
[M+K]+ | 322.02246 | 156.7 |
[M+H-H2O]+ | 266.05656 | 153.6 |
[M+HCOO]- | 328.05750 | 179.3 |
[M+CH3COO]- | 342.07315 | 201.7 |
[M+Na-2H]- | 304.03397 | 163.5 |
[M]+ | 283.05875 | 153.2 |
[M]- | 283.05985 | 153.2 |