CID 5166798

3-iodo-4-methylbenzyl alcohol

Structural Information

Molecular Formula
C8H9IO
SMILES
CC1=C(C=C(C=C1)CO)I
InChI
InChI=1S/C8H9IO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3
InChIKey
KOJVNDPZLOBKMK-UHFFFAOYSA-N
Compound name
(3-iodo-4-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

119
Patents

247.9698 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97708 136.3
[M+Na]+ 270.95902 142.2
[M+NH4]+ 266.00362 141.1
[M+K]+ 286.93296 138.8
[M-H]- 246.96252 132.4
[M+Na-2H]- 268.94447 130.8
[M]+ 247.96925 135.0
[M]- 247.97035 135.0
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