CID 722438

2-benzyl-4,5-dichloropyridazin-3(2h)-one

Structural Information

Molecular Formula
C11H8Cl2N2O
SMILES
C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)Cl)Cl
InChI
InChI=1S/C11H8Cl2N2O/c12-9-6-14-15(11(16)10(9)13)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
AJHBQZQCDCTOFD-UHFFFAOYSA-N
Compound name
2-benzyl-4,5-dichloropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

115
Patents

254.00137 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00865 150.4
[M+Na]+ 276.99059 168.5
[M+NH4]+ 272.03519 159.3
[M+K]+ 292.96453 159.3
[M-H]- 252.99409 154.1
[M+Na-2H]- 274.97604 160.6
[M]+ 254.00082 154.8
[M]- 254.00192 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe