CID 11057881

4-hydroxy-3,5-diiodobenzyl alcohol

Structural Information

Molecular Formula

C₇H₆I₂O₂

SMILES

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

InChI

InChI=1S/C7H6I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,10-11H,3H2

InChIKey

VJXBYCZCWPIBRJ-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-2,6-diiodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 375.84573 Da
Monoisotopic Mass: 2.0
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]+	376.85301	148.7
[M+Na]+	398.83495	145.1
[M+NH4]+	393.87955	147.6
[M+K]+	414.80889	147.0
[M-H]-	374.83845	138.1
[M+Na-2H]-	396.82040	132.9
[M]+	375.84518	143.2
[M]-	375.84628	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe