CID 819292

2-(3,5-difluorophenoxy)acetic acid

Structural Information

Molecular Formula

C₈H₆F₂O₃

SMILES

C1=C(C=C(C=C1F)F)OCC(=O)O

InChI

InChI=1S/C8H6F2O3/c9-5-1-6(10)3-7(2-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey

DAKQOKIYIPBOHY-UHFFFAOYSA-N

Compound name

2-(3,5-difluorophenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 188.0285 Da
Monoisotopic Mass: 1.7
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]+	189.03578	138.1
[M+Na]+	211.01772	148.4
[M+NH4]+	206.06232	144.1
[M+K]+	226.99166	143.6
[M-H]-	187.02122	135.9
[M+Na-2H]-	209.00317	142.3
[M]+	188.02795	138.5
[M]-	188.02905	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe