CID 2736726

13600-42-5

Structural Information

Molecular Formula

C₇HCl₂F₃N₂

SMILES

C1=C(C(=C(N=C1Cl)Cl)C#N)C(F)(F)F

InChI

InChI=1S/C7HCl2F3N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H

InChIKey

WRXXBTBGBXYHSG-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 235
Patents: 239.94688 Da
Monoisotopic Mass: 3.4
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]+	240.95416	140.3
[M+Na]+	262.93610	152.0
[M+NH4]+	257.98070	143.5
[M+K]+	278.91004	143.1
[M-H]-	238.93960	130.7
[M+Na-2H]-	260.92155	143.3
[M]+	239.94633	138.9
[M]-	239.94743	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe