CID 555318

4-iodo-2,6-dimethylphenol

Structural Information

Molecular Formula
C8H9IO
SMILES
CC1=CC(=CC(=C1O)C)I
InChI
InChI=1S/C8H9IO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey
HUUNIMCCAGNBDF-UHFFFAOYSA-N
Compound name
4-iodo-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

125
Patents

247.9698 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97708 136.3
[M+Na]+ 270.95902 142.5
[M+NH4]+ 266.00362 141.1
[M+K]+ 286.93296 139.3
[M-H]- 246.96252 132.4
[M+Na-2H]- 268.94447 130.6
[M]+ 247.96925 135.1
[M]- 247.97035 135.1
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