CID 53379

75852-54-9

Structural Information

Molecular Formula

C₁₄H₁₁FO₂

SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2)CC(=O)O)F

InChI

InChI=1S/C14H11FO2/c15-13-7-10(8-14(16)17)6-12(9-13)11-4-2-1-3-5-11/h1-7,9H,8H2,(H,16,17)

InChIKey

JGBOWITUOMPRBI-UHFFFAOYSA-N

Compound name

2-(3-fluoro-5-phenylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 230.07431 Da
Monoisotopic Mass: 3.1
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]+	231.081586	148.2
[M+Na]+	253.063528	156.2
[M-H]-	229.067034	152.6
[M+NH4]+	248.108133	165.3
[M+K]+	269.037468	152.0
[M+H-H2O]+	213.071570	140.5
[M+HCOO]-	275.072511	169.7
[M+CH3COO]-	289.088161	188.5
[M+Na-2H]-	251.048976	152.6
[M]+	230.07376142	146.6
[M]-	230.07485858	146.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.