CID 520968

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

Structural Information

Molecular Formula

C₆H₂Cl₂F₃N

SMILES

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

InChI

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

InChIKey

KVNQWVYYVLCZKK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 619
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]+	215.95892	131.4
[M+Na]+	237.94086	143.5
[M-H]-	213.94436	129.8
[M+NH4]+	232.98546	150.4
[M+K]+	253.91480	138.0
[M+H-H2O]+	197.94890	124.6
[M+HCOO]-	259.94984	141.1
[M+CH3COO]-	273.96549	183.8
[M+Na-2H]-	235.92631	137.6
[M]+	214.95109	130.3
[M]-	214.95219	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe