CID 619960

1494-26-4

Structural Information

Molecular Formula

C₁₄H₁₂F₃NO

SMILES

COC1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H12F3NO/c1-19-13-7-5-11(6-8-13)18-12-4-2-3-10(9-12)14(15,16)17/h2-9,18H,1H3

InChIKey

VODIERGLAGAWQU-UHFFFAOYSA-N

Compound name

N-(4-methoxyphenyl)-3-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 267.0871 Da
Monoisotopic Mass: 4.3
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]+	268.09438	160.8
[M+Na]+	290.07632	171.5
[M+NH4]+	285.12092	167.0
[M+K]+	306.05026	164.8
[M-H]-	266.07982	160.9
[M+Na-2H]-	288.06177	167.8
[M]+	267.08655	162.2
[M]-	267.08765	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe