CID 17979183

184969-55-9

Structural Information

Molecular Formula

C₁₀H₉F₆N

SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCN

InChI

InChI=1S/C10H9F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1-2,17H2

InChIKey

QJNMFINEIFVNMK-UHFFFAOYSA-N

Compound name

2-[3,5-bis(trifluoromethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 232
Patents: 257.0639 Da
Monoisotopic Mass: 3.0
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]+	258.071176	149.9
[M+Na]+	280.053118	159.2
[M-H]-	256.056624	145.8
[M+NH4]+	275.097723	166.6
[M+K]+	296.027058	154.9
[M+H-H2O]+	240.061160	139.6
[M+HCOO]-	302.062101	164.8
[M+CH3COO]-	316.077751	197.3
[M+Na-2H]-	278.038566	153.0
[M]+	257.06335142	140.4
[M]-	257.06444858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe