CID 173431
Einecs 278-261-7
Structural Information
- Molecular Formula
- C33H20N4O10S2
- SMILES
- C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)OS(=O)(=O)C3=CC=CC4=C3C=CC(=C4O)[N+]#N)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6O)[N+]#N
- InChI
- InChI=1S/C33H18N4O10S2/c34-36-24-15-12-19-21(30(24)40)8-4-10-27(19)48(42,43)46-32-23(29(39)18-6-2-1-3-7-18)14-17-26(38)33(32)47-49(44,45)28-11-5-9-22-20(28)13-16-25(37-35)31(22)41/h1-17H,(H-2,38,39,40,41)/p+2
- InChIKey
- MIGLKUWUWVDVCY-UHFFFAOYSA-P
- Compound name
- 5-[6-benzoyl-2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxy-3-hydroxyphenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 697.06938 | 283.6 |
[M+Na]+ | 719.05132 | 290.2 |
[M-H]- | 695.05482 | 288.7 |
[M+NH4]+ | 714.09592 | 280.6 |
[M+K]+ | 735.02526 | 277.1 |
[M+H-H2O]+ | 679.05936 | 268.5 |
[M+HCOO]- | 741.06030 | 283.2 |
[M+CH3COO]- | 755.07595 | 262.3 |
[M+Na-2H]- | 717.03677 | 286.3 |
[M]+ | 696.06155 | 277.6 |
[M]- | 696.06265 | 277.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.