CID 3040653

52777-74-9

Structural Information

Molecular Formula

C₁₃H₁₈F₃N

SMILES

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

InChI

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

InChIKey

WUNHMQPCNHSOOI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 245.13913 Da
Monoisotopic Mass: 3.9
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	155.1
[M+Na]+	268.12835	161.2
[M-H]-	244.13185	154.3
[M+NH4]+	263.17295	172.3
[M+K]+	284.10229	157.8
[M+H-H2O]+	228.13639	146.3
[M+HCOO]-	290.13733	173.5
[M+CH3COO]-	304.15298	198.2
[M+Na-2H]-	266.11380	158.2
[M]+	245.13858	151.2
[M]-	245.13968	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe