CID 105807
Dtxsid40886961
Structural Information
- Molecular Formula
- C16H11Cl3N4O4S
- SMILES
- CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)Cl)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl
- InChI
- InChI=1S/C16H11Cl3N4O4S/c1-8-15(21-20-10-4-2-9(17)3-5-10)16(24)23(22-8)13-6-12(19)14(7-11(13)18)28(25,26)27/h2-7,15H,1H3,(H,25,26,27)
- InChIKey
- ZGJOYJOGEVRBHB-UHFFFAOYSA-N
- Compound name
- 2,5-dichloro-4-[4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 460.96395 | 202.8 |
[M+Na]+ | 482.94589 | 214.5 |
[M-H]- | 458.94939 | 211.5 |
[M+NH4]+ | 477.99049 | 213.2 |
[M+K]+ | 498.91983 | 208.2 |
[M+H-H2O]+ | 442.95393 | 195.7 |
[M+HCOO]- | 504.95487 | 207.5 |
[M+CH3COO]- | 518.97052 | 230.7 |
[M+Na-2H]- | 480.93134 | 201.6 |
[M]+ | 459.95612 | 211.1 |
[M]- | 459.95722 | 211.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.