CID 137838441

2095410-99-2

Structural Information

Molecular Formula

C₁₄H₁₀F₃NO₃

SMILES

C1=CC(=C(N=C1)OCC2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H10F3NO3/c15-14(16,17)10-5-3-9(4-6-10)8-21-12-11(13(19)20)2-1-7-18-12/h1-7H,8H2,(H,19,20)

InChIKey

OPDGHOCPOHFNTA-UHFFFAOYSA-N

Compound name

2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.06128 Da
Monoisotopic Mass: 3.1
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	162.2
[M+Na]+	320.050498	170.7
[M-H]-	296.054004	162.7
[M+NH4]+	315.095103	175.1
[M+K]+	336.024438	166.4
[M+H-H2O]+	280.058540	151.8
[M+HCOO]-	342.059481	178.7
[M+CH3COO]-	356.075131	198.4
[M+Na-2H]-	318.035946	166.2
[M]+	297.06073142	159.7
[M]-	297.06182858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.