CID 302873

399-40-6

Structural Information

Molecular Formula

C₈H₆BrFO₃

SMILES

C1=CC(=C(C=C1F)Br)OCC(=O)O

InChI

InChI=1S/C8H6BrFO3/c9-6-3-5(10)1-2-7(6)13-4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey

WWVZWZDNCWFYIM-UHFFFAOYSA-N

Compound name

2-(2-bromo-4-fluorophenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 51
Patents: 247.94843 Da
Monoisotopic Mass: 2.3
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]+	248.95571	144.5
[M+Na]+	270.93765	146.8
[M+NH4]+	265.98225	147.9
[M+K]+	286.91159	147.7
[M-H]-	246.94115	142.7
[M+Na-2H]-	268.92310	146.4
[M]+	247.94788	142.9
[M]-	247.94898	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe