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

1980
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

literature stripe

Patent stripe

patents stripe