CID 53598

(2,4-diiodophenoxy)acetic acid

Structural Information

Molecular Formula

C₈H₆I₂O₃

SMILES

C1=CC(=C(C=C1I)I)OCC(=O)O

InChI

InChI=1S/C8H6I2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey

NCMZZPMWCNKRJG-UHFFFAOYSA-N

Compound name

2-(2,4-diiodophenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 403.84064 Da
Monoisotopic Mass: 3.0
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]+	404.84792	156.5
[M+Na]+	426.82986	152.3
[M+NH4]+	421.87446	154.8
[M+K]+	442.80380	154.4
[M-H]-	402.83336	145.5
[M+Na-2H]-	424.81531	140.2
[M]+	403.84009	150.7
[M]-	403.84119	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe