CID 49871750

2-chloro-6-(trifluoromethoxy)pyridine

Structural Information

Molecular Formula

C₆H₃ClF₃NO

SMILES

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

InChI

InChI=1S/C6H3ClF3NO/c7-4-2-1-3-5(11-4)12-6(8,9)10/h1-3H

InChIKey

GZFNUCAMADABAO-UHFFFAOYSA-N

Compound name

2-chloro-6-(trifluoromethoxy)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 185
Patents: 196.98552 Da
Monoisotopic Mass: 3.4
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]+	197.992796	130.0
[M+Na]+	219.974738	141.0
[M-H]-	195.978244	128.9
[M+NH4]+	215.019343	149.1
[M+K]+	235.948678	137.4
[M+H-H2O]+	179.982780	122.4
[M+HCOO]-	241.983721	145.2
[M+CH3COO]-	255.999371	179.9
[M+Na-2H]-	217.960186	137.7
[M]+	196.98497142	129.1
[M]-	196.98606858	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe