CID 162730

2',4'-difluorobiphenyl-4-acetic acid

Structural Information

Molecular Formula

C₁₄H₁₀F₂O₂

SMILES

C1=CC(=CC=C1CC(=O)O)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C14H10F2O2/c15-11-5-6-12(13(16)8-11)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7H2,(H,17,18)

InChIKey

ALNGFJXTPDCAMM-UHFFFAOYSA-N

Compound name

2-[4-(2,4-difluorophenyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2
Patents: 248.06488 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]+	249.072156	150.8
[M+Na]+	271.054098	159.8
[M-H]-	247.057604	154.2
[M+NH4]+	266.098703	167.4
[M+K]+	287.028038	155.2
[M+H-H2O]+	231.062140	142.2
[M+HCOO]-	293.063081	171.1
[M+CH3COO]-	307.078731	192.4
[M+Na-2H]-	269.039546	153.8
[M]+	248.06433142	148.5
[M]-	248.06542858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe