CID 3871090

885950-67-4

Structural Information

Molecular Formula

C₁₃H₁₇F₃N₂O

SMILES

C1COCCN1C(CN)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)12(9-17)18-5-7-19-8-6-18/h1-4,12H,5-9,17H2

InChIKey

JFZRWJJFLWSVCX-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 274.1293 Da
Monoisotopic Mass: 1.4
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]+	275.136576	161.8
[M+Na]+	297.118518	166.3
[M-H]-	273.122024	162.3
[M+NH4]+	292.163123	174.2
[M+K]+	313.092458	163.7
[M+H-H2O]+	257.126560	151.0
[M+HCOO]-	319.127501	174.7
[M+CH3COO]-	333.143151	198.8
[M+Na-2H]-	295.103966	164.4
[M]+	274.12875142	152.8
[M]-	274.12984858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe