CID 22605542

477312-25-7

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: 159
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]+	206.078716	140.0
[M+Na]+	228.060658	147.8
[M-H]-	204.064164	139.5
[M+NH4]+	223.105263	158.6
[M+K]+	244.034598	145.6
[M+H-H2O]+	188.068700	131.8
[M+HCOO]-	250.069641	159.4
[M+CH3COO]-	264.085291	187.4
[M+Na-2H]-	226.046106	144.3
[M]+	205.07089142	135.1
[M]-	205.07198858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe