CID 46785668

387-88-2

Structural Information

Molecular Formula

C₉H₁₀F₃N

SMILES

CC1=CC=CC=C1C(C(F)(F)F)N

InChI

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

InChIKey

HBPCGCQLMHJYHR-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(2-methylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 189.07654 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]+	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

No literature data available for this compound.

Patent stripe

patents stripe