CID 16778903

4,5-dichloro-2-(2,4-difluorophenyl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C10H4Cl2F2N2O
SMILES
C1=CC(=C(C=C1F)F)N2C(=O)C(=C(C=N2)Cl)Cl
InChI
InChI=1S/C10H4Cl2F2N2O/c11-6-4-15-16(10(17)9(6)12)8-2-1-5(13)3-7(8)14/h1-4H
InChIKey
NRYDLGQEIIBOIA-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(2,4-difluorophenyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

275.9669 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.97418 147.9
[M+Na]+ 298.95612 162.1
[M-H]- 274.95962 149.7
[M+NH4]+ 294.00072 163.3
[M+K]+ 314.93006 155.0
[M+H-H2O]+ 258.96416 139.2
[M+HCOO]- 320.96510 159.2
[M+CH3COO]- 334.98075 160.6
[M+Na-2H]- 296.94157 152.1
[M]+ 275.96635 150.2
[M]- 275.96745 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe