CID 3304342

Methyl 2-(4-fluorophenoxy)propanoate

Structural Information

Molecular Formula

C₁₀H₁₁FO₃

SMILES

CC(C(=O)OC)OC1=CC=C(C=C1)F

InChI

InChI=1S/C10H11FO3/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7H,1-2H3

InChIKey

DKMKNUIKEKISMZ-UHFFFAOYSA-N

Compound name

methyl 2-(4-fluorophenoxy)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 198.06923 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]+	199.076506	139.3
[M+Na]+	221.058448	147.1
[M-H]-	197.061954	141.9
[M+NH4]+	216.103053	158.7
[M+K]+	237.032388	146.5
[M+H-H2O]+	181.066490	132.6
[M+HCOO]-	243.067431	161.5
[M+CH3COO]-	257.083081	184.4
[M+Na-2H]-	219.043896	143.3
[M]+	198.06868142	141.2
[M]-	198.06977858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe