CID 302884

3-(2,4-difluorophenoxy)propanoic acid

Structural Information

Molecular Formula

C₉H₈F₂O₃

SMILES

C1=CC(=C(C=C1F)F)OCCC(=O)O

InChI

InChI=1S/C9H8F2O3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)

InChIKey

KELQPDLVHXMGBI-UHFFFAOYSA-N

Compound name

3-(2,4-difluorophenoxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 202.04414 Da
Monoisotopic Mass: 1.6
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]+	203.05142	142.5
[M+Na]+	225.03336	152.6
[M+NH4]+	220.07796	148.3
[M+K]+	241.00730	147.6
[M-H]-	201.03686	140.2
[M+Na-2H]-	223.01881	146.4
[M]+	202.04359	142.9
[M]-	202.04469	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe