CID 16205366
1,8-diamino-2,4,5,7-tetrachloroanthraquinone
Structural Information
- Molecular Formula
- C14H6Cl4N2O2
- SMILES
- C1=C(C2=C(C(=C1Cl)N)C(=O)C3=C(C2=O)C(=CC(=C3N)Cl)Cl)Cl
- InChI
- InChI=1S/C14H6Cl4N2O2/c15-3-1-5(17)11(19)9-7(3)13(21)8-4(16)2-6(18)12(20)10(8)14(9)22/h1-2H,19-20H2
- InChIKey
- ADWASFABXNYXBP-UHFFFAOYSA-N
- Compound name
- 1,8-diamino-2,4,5,7-tetrachloroanthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 374.92561 | 178.4 |
[M+Na]+ | 396.90755 | 192.2 |
[M-H]- | 372.91105 | 180.8 |
[M+NH4]+ | 391.95215 | 194.1 |
[M+K]+ | 412.88149 | 185.1 |
[M+H-H2O]+ | 356.91559 | 176.2 |
[M+HCOO]- | 418.91653 | 180.4 |
[M+CH3COO]- | 432.93218 | 188.4 |
[M+Na-2H]- | 394.89300 | 177.9 |
[M]+ | 373.91778 | 181.3 |
[M]- | 373.91888 | 181.3 |
Literature stripe
No literature data available for this compound.