CID 197225

Fenridazon

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₃

SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H9ClN2O3/c1-7-6-10(16)11(12(17)18)14-15(7)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,17,18)

InChIKey

JDEKUYKSOCTBJT-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 1452
Patents: 264.03018 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.03746	154.2
[M+Na]+	287.01940	170.2
[M+NH4]+	282.06400	161.0
[M+K]+	302.99334	163.9
[M-H]-	263.02290	156.3
[M+Na-2H]-	285.00485	162.2
[M]+	264.02963	157.3
[M]-	264.03073	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe