CID 74759

1948-39-6

Structural Information

Molecular Formula

C₈H₆I₂O₃

SMILES

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

InChI

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

InChIKey

IGWIPEUDVOXYDO-UHFFFAOYSA-N

Compound name

2-(4-hydroxy-3,5-diiodophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 403.84064 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]+	404.84792	158.1
[M+Na]+	426.82986	153.7
[M+NH4]+	421.87446	156.1
[M+K]+	442.80380	156.1
[M-H]-	402.83336	146.7
[M+Na-2H]-	424.81531	141.1
[M]+	403.84009	152.1
[M]-	403.84119	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe