CID 689085

2166-13-4

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC(=CC=C1C2=NNC(=O)C=C2)Cl
InChI
InChI=1S/C10H7ClN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)
InChIKey
HALBJPGFCUGLFM-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

94
Patents

206.02469 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03197 140.3
[M+Na]+ 229.01391 157.2
[M+NH4]+ 224.05851 149.0
[M+K]+ 244.98785 149.1
[M-H]- 205.01741 143.7
[M+Na-2H]- 226.99936 150.6
[M]+ 206.02414 144.1
[M]- 206.02524 144.1
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