CID 6409738

339008-33-2

Structural Information

Molecular Formula

C₁₃H₁₀ClN₃

SMILES

CC1=CC(=CC=C1)C(C#N)C2=NN=C(C=C2)Cl

InChI

InChI=1S/C13H10ClN3/c1-9-3-2-4-10(7-9)11(8-15)12-5-6-13(14)17-16-12/h2-7,11H,1H3

InChIKey

CTRXOKALOFTXKD-UHFFFAOYSA-N

Compound name

2-(6-chloropyridazin-3-yl)-2-(3-methylphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 243.05632 Da
Monoisotopic Mass: 2.6
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]+	244.06360	153.8
[M+Na]+	266.04554	169.3
[M+NH4]+	261.09014	159.1
[M+K]+	282.01948	158.1
[M-H]-	242.04904	150.3
[M+Na-2H]-	264.03099	160.7
[M]+	243.05577	154.6
[M]-	243.05687	154.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.