CID 74775

2,6-diiodohydroquinone

Structural Information

Molecular Formula

C₆H₄I₂O₂

SMILES

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

InChI

InChI=1S/C6H4I2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H

InChIKey

TXLWEPPRCDCHRB-UHFFFAOYSA-N

Compound name

2,6-diiodobenzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 45
Patents: 361.83008 Da
Monoisotopic Mass: 1.9
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]+	362.83736	143.8
[M+Na]+	384.81930	138.6
[M-H]-	360.82280	134.1
[M+NH4]+	379.86390	153.1
[M+K]+	400.79324	148.0
[M+H-H2O]+	344.82734	133.1
[M+HCOO]-	406.82828	154.5
[M+CH3COO]-	420.84393	195.5
[M+Na-2H]-	382.80475	131.2
[M]+	361.82953	138.4
[M]-	361.83063	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe