CID 3073155

146824-85-3

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₂

SMILES

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

InChI

InChI=1S/C12H11ClN2O2/c1-8-6-11(16)12(17-2)14-15(8)10-5-3-4-9(13)7-10/h3-7H,1-2H3

InChIKey

RFLSRPRCTIMYKU-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-3-methoxy-6-methylpyridazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.0509 Da
Monoisotopic Mass: 3.0
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]+	251.05818	150.8
[M+Na]+	273.04012	162.9
[M-H]-	249.04362	155.7
[M+NH4]+	268.08472	166.7
[M+K]+	289.01406	157.9
[M+H-H2O]+	233.04816	142.9
[M+HCOO]-	295.04910	169.0
[M+CH3COO]-	309.06475	193.1
[M+Na-2H]-	271.02557	156.6
[M]+	250.05035	155.9
[M]-	250.05145	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe