CID 25936
Brn 0813542
Structural Information
- Molecular Formula
- C11H6Cl2N2O3
- SMILES
- C1=CC(=C(C=C1C(=O)OC2=NNC(=O)C=C2)Cl)Cl
- InChI
- InChI=1S/C11H6Cl2N2O3/c12-7-2-1-6(5-8(7)13)11(17)18-10-4-3-9(16)14-15-10/h1-5H,(H,14,16)
- InChIKey
- QPZAPFIGCNRQLL-UHFFFAOYSA-N
- Compound name
- (6-oxo-1H-pyridazin-3-yl) 3,4-dichlorobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 284.98284 | 152.5 |
[M+Na]+ | 306.96478 | 163.8 |
[M-H]- | 282.96828 | 155.4 |
[M+NH4]+ | 302.00938 | 166.4 |
[M+K]+ | 322.93872 | 157.7 |
[M+H-H2O]+ | 266.97282 | 145.5 |
[M+HCOO]- | 328.97376 | 164.0 |
[M+CH3COO]- | 342.98941 | 192.5 |
[M+Na-2H]- | 304.95023 | 157.4 |
[M]+ | 283.97501 | 156.2 |
[M]- | 283.97611 | 156.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.