CID 720233

112749-52-7

Structural Information

Molecular Formula
C11H7Cl3N2O
SMILES
C1=CC=C(C(=C1)CN2C(=O)C(=C(C=N2)Cl)Cl)Cl
InChI
InChI=1S/C11H7Cl3N2O/c12-8-4-2-1-3-7(8)6-16-11(17)10(14)9(13)5-15-16/h1-5H,6H2
InChIKey
OCSOJUHXYHYEKJ-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-[(2-chlorophenyl)methyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

287.9624 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.96968 154.1
[M+Na]+ 310.95162 166.6
[M-H]- 286.95512 156.7
[M+NH4]+ 305.99622 168.8
[M+K]+ 326.92556 159.6
[M+H-H2O]+ 270.95966 147.2
[M+HCOO]- 332.96060 161.6
[M+CH3COO]- 346.97625 165.9
[M+Na-2H]- 308.93707 158.4
[M]+ 287.96185 158.3
[M]- 287.96295 158.3
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

No patent data available for this compound.