CID 11862

2,4,6-triiodophenol

Structural Information

Molecular Formula
C6H3I3O
SMILES
C1=C(C=C(C(=C1I)O)I)I
InChI
InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey
VAPDZNUFNKUROY-UHFFFAOYSA-N
Compound name
2,4,6-triiodophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

2021
Patents

471.7318 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.73908 146.0
[M+Na]+ 494.72102 135.1
[M-H]- 470.72452 135.9
[M+NH4]+ 489.76562 150.2
[M+K]+ 510.69496 148.6
[M+H-H2O]+ 454.72906 134.7
[M+HCOO]- 516.73000 151.6
[M+CH3COO]- 530.74565 215.5
[M+Na-2H]- 492.70647 132.4
[M]+ 471.73125 140.0
[M]- 471.73235 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.