CID 11230395

1-(4-iodophenyl)ethanol

Structural Information

Molecular Formula
C8H9IO
SMILES
CC(C1=CC=C(C=C1)I)O
InChI
InChI=1S/C8H9IO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey
KWUDBZIJCVKUHM-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
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 137.4
[M+Na]+ 270.95902 142.5
[M+NH4]+ 266.00362 142.0
[M+K]+ 286.93296 139.7
[M-H]- 246.96252 133.2
[M+Na-2H]- 268.94447 131.6
[M]+ 247.96925 135.8
[M]- 247.97035 135.8
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