CID 13712150

2044744-71-8

Structural Information

Molecular Formula

C₁₁H₁₁F₃N₂

SMILES

C1=CC=C2C(=C1)C(=C(N2)C(F)(F)F)CCN

InChI

InChI=1S/C11H11F3N2/c12-11(13,14)10-8(5-6-15)7-3-1-2-4-9(7)16-10/h1-4,16H,5-6,15H2

InChIKey

VJXSSONPAKTNMF-UHFFFAOYSA-N

Compound name

2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 228.08743 Da
Monoisotopic Mass: 2.3
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]+	229.09471	145.5
[M+Na]+	251.07665	155.7
[M-H]-	227.08015	143.8
[M+NH4]+	246.12125	164.5
[M+K]+	267.05059	150.1
[M+H-H2O]+	211.08469	137.1
[M+HCOO]-	273.08563	164.3
[M+CH3COO]-	287.10128	188.9
[M+Na-2H]-	249.06210	150.8
[M]+	228.08688	140.9
[M]-	228.08798	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe