CID 2736823
175135-46-3
Structural Information
- Molecular Formula
- C11H7Cl2FN2O
- SMILES
- C1=CC=C(C(=C1)CN2C(=O)C(=C(C=N2)Cl)Cl)F
- InChI
- InChI=1S/C11H7Cl2FN2O/c12-8-5-15-16(11(17)10(8)13)6-7-3-1-2-4-9(7)14/h1-5H,6H2
- InChIKey
- KXXLLZDAGSQFED-UHFFFAOYSA-N
- Compound name
- 4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 272.99922 | 150.6 |
[M+Na]+ | 294.98116 | 163.4 |
[M-H]- | 270.98466 | 153.2 |
[M+NH4]+ | 290.02576 | 166.0 |
[M+K]+ | 310.95510 | 156.5 |
[M+H-H2O]+ | 254.98920 | 142.4 |
[M+HCOO]- | 316.99014 | 162.6 |
[M+CH3COO]- | 331.00579 | 163.1 |
[M+Na-2H]- | 292.96661 | 155.5 |
[M]+ | 271.99139 | 153.9 |
[M]- | 271.99249 | 153.9 |