CID 106276
67969-94-2
Structural Information
- Molecular Formula
- C20H13N4O6S2
- SMILES
- C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O
- InChI
- InChI=1S/C20H12N4O6S2/c21-22-17-8-9-18(14-5-2-1-4-13(14)17)24-23-12-10-16-15(20(11-12)32(28,29)30)6-3-7-19(16)31(25,26)27/h1-11H,(H-,25,26,27,28,29,30)/p+1
- InChIKey
- HFFCSJWIBQAHDV-UHFFFAOYSA-O
- Compound name
- 4-[(4,8-disulfonaphthalen-2-yl)diazenyl]naphthalene-1-diazonium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 470.03493 | 228.8 |
[M+Na]+ | 492.01687 | 239.1 |
[M-H]- | 468.02037 | 236.2 |
[M+NH4]+ | 487.06147 | 236.6 |
[M+K]+ | 507.99081 | 227.8 |
[M+H-H2O]+ | 452.02491 | 216.1 |
[M+HCOO]- | 514.02585 | 239.3 |
[M+CH3COO]- | 528.04150 | 236.5 |
[M+Na-2H]- | 490.00232 | 239.3 |
[M]+ | 469.02710 | 228.4 |
[M]- | 469.02820 | 228.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.