CID 10397819

2-chloro-6-(chlorodifluoromethyl)pyridine

Structural Information

Molecular Formula

C₆H₃Cl₂F₂N

SMILES

C1=CC(=NC(=C1)Cl)C(F)(F)Cl

InChI

InChI=1S/C6H3Cl2F2N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H

InChIKey

BMITXKSONBCTCH-UHFFFAOYSA-N

Compound name

2-chloro-6-[chloro(difluoro)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 196.96106 Da
Monoisotopic Mass: 2.9
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]+	197.968336	129.7
[M+Na]+	219.950278	140.8
[M-H]-	195.953784	129.0
[M+NH4]+	214.994883	149.1
[M+K]+	235.924218	135.7
[M+H-H2O]+	179.958320	123.6
[M+HCOO]-	241.959261	140.4
[M+CH3COO]-	255.974911	180.6
[M+Na-2H]-	217.935726	137.1
[M]+	196.96051142	129.5
[M]-	196.96160858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe