CID 14357908

6-chloro-4-methoxy-3-phenylpyridazine

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

COC1=CC(=NN=C1C2=CC=CC=C2)Cl

InChI

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

InChIKey

QQPPLPQPYYLNDE-UHFFFAOYSA-N

Compound name

6-chloro-4-methoxy-3-phenylpyridazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
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