CID 22000229

2-chloro-5-(trifluoromethoxy)pyridine

Structural Information

Molecular Formula

C₆H₃ClF₃NO

SMILES

C1=CC(=NC=C1OC(F)(F)F)Cl

InChI

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

InChIKey

PONLSAHALFQCNY-UHFFFAOYSA-N

Compound name

2-chloro-5-(trifluoromethoxy)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 143
Patents: 196.98552 Da
Monoisotopic Mass: 3.0
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]+	197.99280	130.0
[M+Na]+	219.97474	141.0
[M-H]-	195.97824	128.9
[M+NH4]+	215.01934	149.1
[M+K]+	235.94868	137.4
[M+H-H2O]+	179.98278	122.4
[M+HCOO]-	241.98372	145.2
[M+CH3COO]-	255.99937	179.9
[M+Na-2H]-	217.96019	137.7
[M]+	196.98497	129.1
[M]-	196.98607	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe