CID 2736261

2,5-dimethyl-4-iodophenol

Structural Information

Molecular Formula
C8H9IO
SMILES
CC1=CC(=C(C=C1I)C)O
InChI
InChI=1S/C8H9IO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3
InChIKey
RFAXNKKOQUYDKE-UHFFFAOYSA-N
Compound name
4-iodo-2,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
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