CID 68524

4-(p-fluorophenyl)butyric acid

Structural Information

Molecular Formula

C₁₀H₁₁FO₂

SMILES

C1=CC(=CC=C1CCCC(=O)O)F

InChI

InChI=1S/C10H11FO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)

InChIKey

XVQYBBYOYJXQBF-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 274
Patents: 182.07431 Da
Monoisotopic Mass: 2.5
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	136.6
[M+Na]+	205.063528	144.2
[M-H]-	181.067034	137.7
[M+NH4]+	200.108133	156.0
[M+K]+	221.037468	141.6
[M+H-H2O]+	165.071570	130.3
[M+HCOO]-	227.072511	158.0
[M+CH3COO]-	241.088161	179.5
[M+Na-2H]-	203.048976	141.3
[M]+	182.07376142	135.8
[M]-	182.07485858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe