CID 3085468

71463-71-3

Structural Information

Molecular Formula

C₇H₂I₄O₂

SMILES

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

InChI

InChI=1S/C7H2I4O2/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h1H,(H,12,13)

InChIKey

BAUFQNBASVMUOB-UHFFFAOYSA-N

Compound name

2,3,4,6-tetraiodobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 625.6234 Da
Monoisotopic Mass: 4.0
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]+	626.63068	164.4
[M+Na]+	648.61262	151.1
[M-H]-	624.61612	156.5
[M+NH4]+	643.65722	164.2
[M+K]+	664.58656	165.4
[M+H-H2O]+	608.62066	154.1
[M+HCOO]-	670.62160	165.0
[M+CH3COO]-	684.63725	234.2
[M+Na-2H]-	646.59807	147.8
[M]+	625.62285	158.7
[M]-	625.62395	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe