CID 49871752

2-chloro-4-(trifluoromethoxy)pyridine

Structural Information

Molecular Formula

C₆H₃ClF₃NO

SMILES

C1=CN=C(C=C1OC(F)(F)F)Cl

InChI

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

InChIKey

FDLBKOZVASUZBU-UHFFFAOYSA-N

Compound name

2-chloro-4-(trifluoromethoxy)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
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	135.9
[M+Na]+	219.97474	146.6
[M+NH4]+	215.01934	142.0
[M+K]+	235.94868	141.2
[M-H]-	195.97824	132.6
[M+Na-2H]-	217.96019	141.3
[M]+	196.98497	136.5
[M]-	196.98607	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe