CID 63220274

4-[3-(trifluoromethoxy)phenyl]oxan-4-amine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO₂

SMILES

C1COCCC1(C2=CC(=CC=C2)OC(F)(F)F)N

InChI

InChI=1S/C12H14F3NO2/c13-12(14,15)18-10-3-1-2-9(8-10)11(16)4-6-17-7-5-11/h1-3,8H,4-7,16H2

InChIKey

XFISAGSHNUYXMR-UHFFFAOYSA-N

Compound name

4-[3-(trifluoromethoxy)phenyl]oxan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.09766 Da
Monoisotopic Mass: 2.2
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]+	262.104936	155.5
[M+Na]+	284.086878	161.8
[M-H]-	260.090384	158.0
[M+NH4]+	279.131483	172.0
[M+K]+	300.060818	160.0
[M+H-H2O]+	244.094920	146.4
[M+HCOO]-	306.095861	171.4
[M+CH3COO]-	320.111511	194.0
[M+Na-2H]-	282.072326	161.2
[M]+	261.09711142	148.1
[M]-	261.09820858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.