CID 1393826

327107-49-3

Structural Information

Molecular Formula

C₁₄H₁₁FO₂

SMILES

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

InChI

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

InChIKey

KEHXYIKRLCYNJX-UHFFFAOYSA-N

Compound name

2-[3-(4-fluorophenyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 230.07431 Da
Monoisotopic Mass: 3.2
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]+	231.08159	151.1
[M+Na]+	253.06353	165.0
[M+NH4]+	248.10813	159.1
[M+K]+	269.03747	157.7
[M-H]-	229.06703	153.8
[M+Na-2H]-	251.04898	159.5
[M]+	230.07376	153.8
[M]-	230.07486	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe