CID 2736261

114971-53-8

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

77
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 135.3
[M+Na]+ 270.95902 138.0
[M-H]- 246.96252 131.6
[M+NH4]+ 266.00362 152.0
[M+K]+ 286.93296 141.7
[M+H-H2O]+ 230.96706 127.1
[M+HCOO]- 292.96800 153.5
[M+CH3COO]- 306.98365 182.9
[M+Na-2H]- 268.94447 128.9
[M]+ 247.96925 133.0
[M]- 247.97035 133.0
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