CID 92316

Pyridafol

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl
InChI
InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)
InChIKey
ZUSHSDOEVHPTCU-UHFFFAOYSA-N
Compound name
6-chloro-3-phenyl-1H-pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

13053
Patents

206.02469 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03197 139.3
[M+Na]+ 229.01391 150.1
[M-H]- 205.01741 142.3
[M+NH4]+ 224.05851 155.8
[M+K]+ 244.98785 144.0
[M+H-H2O]+ 189.02195 131.9
[M+HCOO]- 251.02289 156.5
[M+CH3COO]- 265.03854 152.3
[M+Na-2H]- 226.99936 147.2
[M]+ 206.02414 139.6
[M]- 206.02524 139.6
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