CID 68492

582-54-7

Structural Information

Molecular Formula

C₈H₆Cl₂O₃

SMILES

C1=CC(=C(C=C1Cl)OCC(=O)O)Cl

InChI

InChI=1S/C8H6Cl2O3/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey

YVPLLFUCNGVUAY-UHFFFAOYSA-N

Compound name

2-(2,5-dichlorophenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 219.9694 Da
Monoisotopic Mass: 2.8
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]+	220.97668	138.6
[M+Na]+	242.95862	152.5
[M+NH4]+	238.00322	146.8
[M+K]+	258.93256	146.2
[M-H]-	218.96212	139.5
[M+Na-2H]-	240.94407	144.9
[M]+	219.96885	141.3
[M]-	219.96995	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe