CID 16735

2249-32-3

Structural Information

Molecular Formula

C₁₂H₁₆FNO₃

SMILES

CN(C)CCOC(=O)COC1=CC=C(C=C1)F

InChI

InChI=1S/C12H16FNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3

InChIKey

LUNCUCCYIKPZIY-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-(4-fluorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.11142 Da
Monoisotopic Mass: 2.0
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]+	242.118696	152.9
[M+Na]+	264.100638	159.3
[M-H]-	240.104144	156.4
[M+NH4]+	259.145243	170.8
[M+K]+	280.074578	159.0
[M+H-H2O]+	224.108680	144.9
[M+HCOO]-	286.109621	176.9
[M+CH3COO]-	300.125271	197.9
[M+Na-2H]-	262.086086	156.5
[M]+	241.11087142	156.6
[M]-	241.11196858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.