CID 3021446

2,3,4,6-tetraiodophenol

Structural Information

Molecular Formula
C6H2I4O
SMILES
C1=C(C(=C(C(=C1I)I)I)O)I
InChI
InChI=1S/C6H2I4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChIKey
JXAWYEDPLIDSMH-UHFFFAOYSA-N
Compound name
2,3,4,6-tetraiodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

597.6285 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.63578 161.4
[M+Na]+ 620.61772 148.3
[M-H]- 596.62122 153.5
[M+NH4]+ 615.66232 161.7
[M+K]+ 636.59166 162.5
[M+H-H2O]+ 580.62576 151.2
[M+HCOO]- 642.62670 162.3
[M+CH3COO]- 656.64235 232.2
[M+Na-2H]- 618.60317 145.4
[M]+ 597.62795 155.5
[M]- 597.62905 155.5
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

patents stripe