CID 54566283

(4-iodo-2-methylphenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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 136.7
[M+Na]+ 270.95902 138.6
[M-H]- 246.96252 132.6
[M+NH4]+ 266.00362 153.2
[M+K]+ 286.93296 142.2
[M+H-H2O]+ 230.96706 128.2
[M+HCOO]- 292.96800 154.9
[M+CH3COO]- 306.98365 181.8
[M+Na-2H]- 268.94447 130.9
[M]+ 247.96925 134.1
[M]- 247.97035 134.1
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