CID 128645

Mr 714

Structural Information

Molecular Formula

C₁₅H₁₂F₂O₃

SMILES

CC(C(=O)O)OC1=CC=C(C=C1)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C15H12F2O3/c1-9(15(18)19)20-12-5-2-10(3-6-12)13-7-4-11(16)8-14(13)17/h2-9H,1H3,(H,18,19)

InChIKey

SZWWLSFFGGWCCC-UHFFFAOYSA-N

Compound name

2-[4-(2,4-difluorophenyl)phenoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 29
Patents: 278.07544 Da
Monoisotopic Mass: 3.7
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]+	279.08272	163.4
[M+Na]+	301.06466	175.2
[M+NH4]+	296.10926	169.4
[M+K]+	317.03860	169.3
[M-H]-	277.06816	163.6
[M+Na-2H]-	299.05011	169.3
[M]+	278.07489	164.9
[M]-	278.07599	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe