CID 1810337

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

Structural Information

Molecular Formula

C₆H₂Cl₂F₃N

SMILES

C1=CC(=NC(=C1C(F)(F)F)Cl)Cl

InChI

InChI=1S/C6H2Cl2F3N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H

InChIKey

UPWAAFFFSGQECJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 694
Patents: 214.95164 Da
Monoisotopic Mass: 3.7
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]+	215.958916	131.4
[M+Na]+	237.940858	143.5
[M-H]-	213.944364	129.8
[M+NH4]+	232.985463	150.4
[M+K]+	253.914798	138.0
[M+H-H2O]+	197.948900	124.6
[M+HCOO]-	259.949841	141.1
[M+CH3COO]-	273.965491	183.8
[M+Na-2H]-	235.926306	137.6
[M]+	214.95109142	130.3
[M]-	214.95218858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe