CID 17844330

172953-70-7

Structural Information

Molecular Formula

C₁₂H₁₆F₃N

SMILES

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

InChI

InChI=1S/C12H16F3N/c1-3-16-9(2)8-10-6-4-5-7-11(10)12(13,14)15/h4-7,9,16H,3,8H2,1-2H3

InChIKey

LKXHYVPQOWESNG-UHFFFAOYSA-N

Compound name

N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 231.12349 Da
Monoisotopic Mass: 3.4
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]+	232.13077	150.3
[M+Na]+	254.11271	156.9
[M-H]-	230.11621	149.8
[M+NH4]+	249.15731	168.2
[M+K]+	270.08665	153.8
[M+H-H2O]+	214.12075	141.8
[M+HCOO]-	276.12169	169.1
[M+CH3COO]-	290.13734	195.2
[M+Na-2H]-	252.09816	154.0
[M]+	231.12294	146.1
[M]-	231.12404	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe