CID 15169850

2-(3-iodophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H9IO
SMILES
C1=CC(=CC(=C1)I)CCO
InChI
InChI=1S/C8H9IO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKey
XETGWOTWVPJOIP-UHFFFAOYSA-N
Compound name
2-(3-iodophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

173
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 138.1
[M+Na]+ 270.95902 139.0
[M-H]- 246.96252 133.6
[M+NH4]+ 266.00362 154.2
[M+K]+ 286.93296 142.5
[M+H-H2O]+ 230.96706 129.3
[M+HCOO]- 292.96800 156.2
[M+CH3COO]- 306.98365 180.7
[M+Na-2H]- 268.94447 132.8
[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