CID 3013910

587-88-2

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: 308
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]+	183.081586	136.1
[M+Na]+	205.063528	144.2
[M-H]-	181.067034	138.7
[M+NH4]+	200.108133	156.3
[M+K]+	221.037468	142.6
[M+H-H2O]+	165.071570	129.6
[M+HCOO]-	227.072511	159.1
[M+CH3COO]-	241.088161	181.5
[M+Na-2H]-	203.048976	141.4
[M]+	182.07376142	137.2
[M]-	182.07485858	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe