CID 2779044

127733-46-4

Structural Information

Molecular Formula

C₉H₁₀F₃N

SMILES

C[C@H](C1=CC=CC=C1C(F)(F)F)N

InChI

InChI=1S/C9H10F3N/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1

InChIKey

DPLIMKBGTYIUCB-ZCFIWIBFSA-N

Compound name

(1R)-1-[2-(trifluoromethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 191
Patents: 189.07654 Da
Monoisotopic Mass: 2.1
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]+	190.08382	142.2
[M+Na]+	212.06576	150.7
[M+NH4]+	207.11036	148.3
[M+K]+	228.03970	145.8
[M-H]-	188.06926	140.0
[M+Na-2H]-	210.05121	146.5
[M]+	189.07599	142.5
[M]-	189.07709	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe