CID 12257501

3-chloro-6-(4-methoxyphenyl)pyridazine

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

COC1=CC=C(C=C1)C2=NN=C(C=C2)Cl

InChI

InChI=1S/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3

InChIKey

TZBSFHQGJIBFLX-UHFFFAOYSA-N

Compound name

3-chloro-6-(4-methoxyphenyl)pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 220.04034 Da
Monoisotopic Mass: 2.4
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]+	221.04762	144.8
[M+Na]+	243.02956	162.1
[M+NH4]+	238.07416	154.0
[M+K]+	259.00350	153.5
[M-H]-	219.03306	148.9
[M+Na-2H]-	241.01501	155.6
[M]+	220.03979	148.9
[M]-	220.04089	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe