CID 111937
Einecs 273-387-9
Structural Information
- Molecular Formula
- C20H17ClN4O4S
- SMILES
- CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)O)Cl
- InChI
- InChI=1S/C20H17ClN4O4S/c1-2-29-17-9-7-16(8-10-17)23-22-14-3-5-15(6-4-14)24-25-20-13-18(30(26,27)28)11-12-19(20)21/h3-13H,2H2,1H3,(H,26,27,28)
- InChIKey
- ICSBNORUFNZTGG-UHFFFAOYSA-N
- Compound name
- 4-chloro-3-[[4-[(4-ethoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 445.07320 | 203.5 |
[M+Na]+ | 467.05514 | 211.7 |
[M-H]- | 443.05864 | 217.4 |
[M+NH4]+ | 462.09974 | 214.4 |
[M+K]+ | 483.02908 | 206.7 |
[M+H-H2O]+ | 427.06318 | 193.1 |
[M+HCOO]- | 489.06412 | 225.5 |
[M+CH3COO]- | 503.07977 | 239.6 |
[M+Na-2H]- | 465.04059 | 209.7 |
[M]+ | 444.06537 | 212.6 |
[M]- | 444.06647 | 212.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.