CID 146155272

4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl acetate

Structural Information

Molecular Formula

C₁₄H₁₀F₃NO₃

SMILES

CC(=O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H10F3NO3/c1-9(19)20-11-3-5-12(6-4-11)21-13-7-2-10(8-18-13)14(15,16)17/h2-8H,1H3

InChIKey

IFGDGASKZXKARK-UHFFFAOYSA-N

Compound name

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.06128 Da
Monoisotopic Mass: 2.7
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]+	298.068556	162.3
[M+Na]+	320.050498	171.2
[M-H]-	296.054004	164.1
[M+NH4]+	315.095103	176.0
[M+K]+	336.024438	167.9
[M+H-H2O]+	280.058540	151.5
[M+HCOO]-	342.059481	180.3
[M+CH3COO]-	356.075131	200.3
[M+Na-2H]-	318.035946	166.7
[M]+	297.06073142	161.5
[M]-	297.06182858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.