CID 120994

1081-78-3

Structural Information

Molecular Formula

C₁₁H₁₄F₃N

SMILES

CC(C)(CC1=CC=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C11H14F3N/c1-10(2,15)7-8-3-5-9(6-4-8)11(12,13)14/h3-6H,7,15H2,1-2H3

InChIKey

LTPXSOIGSHRNFH-UHFFFAOYSA-N

Compound name

2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 217.10783 Da
Monoisotopic Mass: 2.7
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]+	218.115106	145.6
[M+Na]+	240.097048	153.4
[M-H]-	216.100554	145.1
[M+NH4]+	235.141653	164.0
[M+K]+	256.070988	150.2
[M+H-H2O]+	200.105090	137.9
[M+HCOO]-	262.106031	163.6
[M+CH3COO]-	276.121681	191.1
[M+Na-2H]-	238.082496	150.9
[M]+	217.10728142	140.2
[M]-	217.10837858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe