CID 62377669

2-(tert-butoxy)-4-fluoroaniline

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

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

InChI

InChI=1S/C10H14FNO/c1-10(2,3)13-9-6-7(11)4-5-8(9)12/h4-6H,12H2,1-3H3

InChIKey

CDPWSESMTRSJDD-UHFFFAOYSA-N

Compound name

4-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10594 Da
Monoisotopic Mass: 2.3
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]+	184.113216	138.6
[M+Na]+	206.095158	147.2
[M-H]-	182.098664	141.2
[M+NH4]+	201.139763	158.8
[M+K]+	222.069098	145.2
[M+H-H2O]+	166.103200	132.6
[M+HCOO]-	228.104141	160.9
[M+CH3COO]-	242.119791	185.2
[M+Na-2H]-	204.080606	144.2
[M]+	183.10539142	137.6
[M]-	183.10648858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.