CID 120990

6-(4-chlorophenyl)-4,5-dihydropyridazin-3(2h)-one

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
C1CC(=O)NN=C1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey
AZDWIMWFLAIPIR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

208.04034 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 142.3
[M+Na]+ 231.02956 151.1
[M-H]- 207.03306 144.7
[M+NH4]+ 226.07416 158.5
[M+K]+ 247.00350 145.5
[M+H-H2O]+ 191.03760 134.8
[M+HCOO]- 253.03854 156.7
[M+CH3COO]- 267.05419 154.2
[M+Na-2H]- 229.01501 148.1
[M]+ 208.03979 139.7
[M]- 208.04089 139.7
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