CID 155241

4-(5-trifluoromethyl-pyridin-2-yloxy)-phenol

Structural Information

Molecular Formula

C₁₂H₈F₃NO₂

SMILES

C1=CC(=CC=C1O)OC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H8F3NO2/c13-12(14,15)8-1-6-11(16-7-8)18-10-4-2-9(17)3-5-10/h1-7,17H

InChIKey

LXXDBPUREVMTMI-UHFFFAOYSA-N

Compound name

4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 198
Patents: 255.05072 Da
Monoisotopic Mass: 2.6
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]+	256.057996	151.3
[M+Na]+	278.039938	160.8
[M-H]-	254.043444	152.0
[M+NH4]+	273.084543	166.2
[M+K]+	294.013878	156.4
[M+H-H2O]+	238.047980	141.3
[M+HCOO]-	300.048921	169.1
[M+CH3COO]-	314.064571	190.3
[M+Na-2H]-	276.025386	157.5
[M]+	255.05017142	148.0
[M]-	255.05126858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe