CID 264689

40915-22-8

Structural Information

Molecular Formula

C₁₂H₈I₂O₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)I)I

InChI

InChI=1S/C12H8I2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H

InChIKey

AVGQIRXZUNRSAY-UHFFFAOYSA-N

Compound name

1-iodo-4-(4-iodophenyl)sulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 362
Patents: 469.83344 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]+	470.84072	172.8
[M+Na]+	492.82266	167.3
[M-H]-	468.82616	166.7
[M+NH4]+	487.86726	179.4
[M+K]+	508.79660	174.9
[M+H-H2O]+	452.83070	159.9
[M+HCOO]-	514.83164	180.2
[M+CH3COO]-	528.84729	211.4
[M+Na-2H]-	490.80811	159.0
[M]+	469.83289	169.4
[M]-	469.83399	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe