CID 68193

Sodium sozoiodolate

Structural Information

Molecular Formula

C₆H₄I₂O₄S

SMILES

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

InChI

InChI=1S/C6H4I2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12)

InChIKey

WUFWNWSUSBGBSH-UHFFFAOYSA-N

Compound name

4-hydroxy-3,5-diiodobenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 425.79196 Da
Monoisotopic Mass: 1.0
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]+	426.79924	159.6
[M+Na]+	448.78118	154.6
[M-H]-	424.78468	150.1
[M+NH4]+	443.82578	167.0
[M+K]+	464.75512	163.3
[M+H-H2O]+	408.78922	148.7
[M+HCOO]-	470.79016	165.4
[M+CH3COO]-	484.80581	200.9
[M+Na-2H]-	446.76663	145.0
[M]+	425.79141	156.4
[M]-	425.79251	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe