CID 3044050

61471-62-3

Structural Information

Molecular Formula

C₁₁H₁₄F₃N

SMILES

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

InChI

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

InChIKey

WAUORSZPKUHOSM-UHFFFAOYSA-N

Compound name

N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 217.10783 Da
Monoisotopic Mass: 3.0
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]+	218.11511	150.8
[M+Na]+	240.09705	159.3
[M+NH4]+	235.14165	156.8
[M+K]+	256.07099	153.6
[M-H]-	216.10055	148.7
[M+Na-2H]-	238.08250	155.1
[M]+	217.10728	151.1
[M]-	217.10838	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe