CID 2760690

80289-91-4

Structural Information

Molecular Formula

C₆HCl₃F₃N

SMILES

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

InChI

InChI=1S/C6HCl3F3N/c7-3-1-2(6(10,11)12)4(8)13-5(3)9/h1H

InChIKey

ZJNBCPFIEDYDFH-UHFFFAOYSA-N

Compound name

2,3,6-trichloro-5-(trifluoromethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 248.91267 Da
Monoisotopic Mass: 4.3
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]+	249.91995	136.5
[M+Na]+	271.90189	149.2
[M-H]-	247.90539	134.0
[M+NH4]+	266.94649	154.2
[M+K]+	287.87583	142.9
[M+H-H2O]+	231.90993	130.4
[M+HCOO]-	293.91087	140.8
[M+CH3COO]-	307.92652	190.4
[M+Na-2H]-	269.88734	140.9
[M]+	248.91212	135.8
[M]-	248.91322	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe