CID 11389760

Methyl 2-(4-fluorophenyl)propanoate

Structural Information

Molecular Formula

C₁₀H₁₁FO₂

SMILES

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

InChI

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

InChIKey

HRSNKYJSOMIHNH-UHFFFAOYSA-N

Compound name

methyl 2-(4-fluorophenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
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	136.1
[M+Na]+	205.06353	144.0
[M-H]-	181.06703	138.8
[M+NH4]+	200.10813	156.2
[M+K]+	221.03747	142.8
[M+H-H2O]+	165.07157	129.7
[M+HCOO]-	227.07251	158.1
[M+CH3COO]-	241.08816	182.4
[M+Na-2H]-	203.04898	140.1
[M]+	182.07376	136.5
[M]-	182.07486	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe