CID 62784149

1803601-62-8

Structural Information

Molecular Formula

C₁₀H₁₃F₂NO

SMILES

CC(C)(CN)OC1=CC(=CC(=C1)F)F

InChI

InChI=1S/C10H13F2NO/c1-10(2,6-13)14-9-4-7(11)3-8(12)5-9/h3-5H,6,13H2,1-2H3

InChIKey

JZJWBJNYSITKQL-UHFFFAOYSA-N

Compound name

2-(3,5-difluorophenoxy)-2-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.09653 Da
Monoisotopic Mass: 1.8
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]+	202.103806	141.3
[M+Na]+	224.085748	149.8
[M-H]-	200.089254	142.3
[M+NH4]+	219.130353	160.5
[M+K]+	240.059688	147.3
[M+H-H2O]+	184.093790	134.1
[M+HCOO]-	246.094731	162.4
[M+CH3COO]-	260.110381	188.6
[M+Na-2H]-	222.071196	146.2
[M]+	201.09598142	139.2
[M]-	201.09707858	139.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.