CID 22594065

502180-66-7

Structural Information

Molecular Formula

C₁₀H₁₂F₃NO₂

SMILES

C1=CC=C(C(=C1)OCCN)OCC(F)(F)F

InChI

InChI=1S/C10H12F3NO2/c11-10(12,13)7-16-9-4-2-1-3-8(9)15-6-5-14/h1-4H,5-7,14H2

InChIKey

JPPUDOMDSLXWNA-UHFFFAOYSA-N

Compound name

2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 235.08202 Da
Monoisotopic Mass: 1.9
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]+	236.08930	147.6
[M+Na]+	258.07124	155.1
[M-H]-	234.07474	146.7
[M+NH4]+	253.11584	164.9
[M+K]+	274.04518	152.7
[M+H-H2O]+	218.07928	138.8
[M+HCOO]-	280.08022	167.8
[M+CH3COO]-	294.09587	191.7
[M+Na-2H]-	256.05669	152.6
[M]+	235.08147	145.1
[M]-	235.08257	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe