CID 88517

2,6-diiodo-p-benzoquinone

Structural Information

Molecular Formula

C₆H₂I₂O₂

SMILES

C1=C(C(=O)C(=CC1=O)I)I

InChI

InChI=1S/C6H2I2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

InChIKey

KANJSWOVFIVFDI-UHFFFAOYSA-N

Compound name

2,6-diiodocyclohexa-2,5-diene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 359.81442 Da
Monoisotopic Mass: 1.4
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]+	360.82170	134.1
[M+Na]+	382.80364	129.4
[M-H]-	358.80714	126.5
[M+NH4]+	377.84824	144.6
[M+K]+	398.77758	139.6
[M+H-H2O]+	342.81168	123.5
[M+HCOO]-	404.81262	146.8
[M+CH3COO]-	418.82827	198.4
[M+Na-2H]-	380.78909	122.5
[M]+	359.81387	129.7
[M]-	359.81497	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe