CID 22605542

1-(3-(trifluoromethoxy)phenyl)ethanamine

Structural Information

Molecular Formula

C₉H₁₀F₃NO

SMILES

CC(C1=CC(=CC=C1)OC(F)(F)F)N

InChI

InChI=1S/C9H10F3NO/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-6H,13H2,1H3

InChIKey

XRRKIDIISISOKH-UHFFFAOYSA-N

Compound name

1-[3-(trifluoromethoxy)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 205.07144 Da
Monoisotopic Mass: 2.4
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]+	206.07872	145.0
[M+Na]+	228.06066	153.1
[M+NH4]+	223.10526	150.5
[M+K]+	244.03460	148.6
[M-H]-	204.06416	142.3
[M+Na-2H]-	226.04611	148.9
[M]+	205.07089	145.0
[M]-	205.07199	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe