CID 10943448

Methyl 4-(2-fluoroethoxy)benzoate

Structural Information

Molecular Formula

C₁₀H₁₁FO₃

SMILES

COC(=O)C1=CC=C(C=C1)OCCF

InChI

InChI=1S/C10H11FO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5H,6-7H2,1H3

InChIKey

KODIHNQWZAHXMW-UHFFFAOYSA-N

Compound name

methyl 4-(2-fluoroethoxy)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 198.06923 Da
Monoisotopic Mass: 2.6
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]+	199.07651	141.8
[M+Na]+	221.05845	153.2
[M+NH4]+	216.10305	148.9
[M+K]+	237.03239	147.4
[M-H]-	197.06195	141.7
[M+Na-2H]-	219.04390	147.4
[M]+	198.06868	143.2
[M]-	198.06978	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe