CID 625760

3,5-bis(2,2,2-trifluoroethoxy)aniline hydrochloride

Structural Information

Molecular Formula

C₁₀H₉F₆NO₂

SMILES

C1=C(C=C(C=C1OCC(F)(F)F)OCC(F)(F)F)N

InChI

InChI=1S/C10H9F6NO2/c11-9(12,13)4-18-7-1-6(17)2-8(3-7)19-5-10(14,15)16/h1-3H,4-5,17H2

InChIKey

OSOJQURMIYYFAY-UHFFFAOYSA-N

Compound name

3,5-bis(2,2,2-trifluoroethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 289.05374 Da
Monoisotopic Mass: 3.4
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]+	290.06102	156.3
[M+Na]+	312.04296	165.4
[M-H]-	288.04646	152.0
[M+NH4]+	307.08756	171.5
[M+K]+	328.01690	162.1
[M+H-H2O]+	272.05100	145.4
[M+HCOO]-	334.05194	171.5
[M+CH3COO]-	348.06759	201.3
[M+Na-2H]-	310.02841	159.6
[M]+	289.05319	149.6
[M]-	289.05429	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe