CID 3013910

Ethyl 2-(4-fluorophenyl)acetate

Structural Information

Molecular Formula

C₁₀H₁₁FO₂

SMILES

CCOC(=O)CC1=CC=C(C=C1)F

InChI

InChI=1S/C10H11FO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3

InChIKey

VMWJHHAOVXQCLE-UHFFFAOYSA-N

Compound name

ethyl 2-(4-fluorophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 259
Patents: 182.07431 Da
Monoisotopic Mass: 2.4
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]+	183.08159	138.7
[M+Na]+	205.06353	150.7
[M+NH4]+	200.10813	146.4
[M+K]+	221.03747	144.3
[M-H]-	181.06703	139.1
[M+Na-2H]-	203.04898	144.8
[M]+	182.07376	140.4
[M]-	182.07486	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe