CID 34360

28896-49-3

Structural Information

Molecular Formula

C₁₂H₈I₂O

SMILES

C1=CC(=CC=C1OC2=CC=C(C=C2)I)I

InChI

InChI=1S/C12H8I2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

InChIKey

VHEGXFQQYZIMMF-UHFFFAOYSA-N

Compound name

1-iodo-4-(4-iodophenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 285
Patents: 421.86646 Da
Monoisotopic Mass: 4.8
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]+	422.87374	159.8
[M+Na]+	444.85568	158.4
[M+NH4]+	439.90028	160.0
[M+K]+	460.82962	158.1
[M-H]-	420.85918	152.4
[M+Na-2H]-	442.84113	147.6
[M]+	421.86591	155.7
[M]-	421.86701	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe