CID 55253546

1-(2,4,6-trifluorphenyl)propan-2-amine hydrochloride

Structural Information

Molecular Formula

C₉H₁₀F₃N

SMILES

CC(CC1=C(C=C(C=C1F)F)F)N

InChI

InChI=1S/C9H10F3N/c1-5(13)2-7-8(11)3-6(10)4-9(7)12/h3-5H,2,13H2,1H3

InChIKey

NIEPRHZEHULLHV-UHFFFAOYSA-N

Compound name

1-(2,4,6-trifluorophenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.07654 Da
Monoisotopic Mass: 2.0
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	142.0
[M+Na]+	212.06576	151.4
[M+NH4]+	207.11036	148.3
[M+K]+	228.03970	145.7
[M-H]-	188.06926	140.4
[M+Na-2H]-	210.05121	146.0
[M]+	189.07599	142.6
[M]-	189.07709	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe