CID 20623520

3,6-bis(trifluoromethyl)-2-chloropyridine

Structural Information

Molecular Formula

C₇H₂ClF₆N

SMILES

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

InChI

InChI=1S/C7H2ClF6N/c8-5-3(6(9,10)11)1-2-4(15-5)7(12,13)14/h1-2H

InChIKey

LXMMRMHPZYGFIA-UHFFFAOYSA-N

Compound name

2-chloro-3,6-bis(trifluoromethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 248.978 Da
Monoisotopic Mass: 3.6
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]+	249.985276	139.4
[M+Na]+	271.967218	151.6
[M-H]-	247.970724	134.9
[M+NH4]+	267.011823	156.6
[M+K]+	287.941158	146.3
[M+H-H2O]+	231.975260	129.6
[M+HCOO]-	293.976201	149.2
[M+CH3COO]-	307.991851	190.6
[M+Na-2H]-	269.952666	144.8
[M]+	248.97745142	133.3
[M]-	248.97854858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe