CID 3039858

Brn 3054752

Structural Information

Molecular Formula

C₁₃H₁₈F₃N

SMILES

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

InChI

InChI=1S/C13H18F3N/c1-9(2)17-10(3)7-11-5-4-6-12(8-11)13(14,15)16/h4-6,8-10,17H,7H2,1-3H3

InChIKey

NFNFGNLAOQRPPO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.13913 Da
Monoisotopic Mass: 3.8
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]+	246.14641	155.0
[M+Na]+	268.12835	160.9
[M-H]-	244.13185	154.3
[M+NH4]+	263.17295	172.2
[M+K]+	284.10229	158.0
[M+H-H2O]+	228.13639	146.3
[M+HCOO]-	290.13733	172.4
[M+CH3COO]-	304.15298	199.1
[M+Na-2H]-	266.11380	156.9
[M]+	245.13858	150.5
[M]-	245.13968	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe