CID 2735928

175135-08-7

Structural Information

Molecular Formula

C₁₄H₁₂F₃NO₂

SMILES

COC1=CC=CC=C1OC2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C14H12F3NO2/c1-19-12-4-2-3-5-13(12)20-11-7-6-9(8-10(11)18)14(15,16)17/h2-8H,18H2,1H3

InChIKey

PYNDGRAUAXTKAO-UHFFFAOYSA-N

Compound name

2-(2-methoxyphenoxy)-5-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 145
Patents: 283.082 Da
Monoisotopic Mass: 3.6
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]+	284.08928	164.2
[M+Na]+	306.07122	174.6
[M+NH4]+	301.11582	169.7
[M+K]+	322.04516	168.7
[M-H]-	282.07472	163.8
[M+Na-2H]-	304.05667	170.2
[M]+	283.08145	165.4
[M]-	283.08255	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe