CID 12272

3-iodophenol

Structural Information

Molecular Formula
C6H5IO
SMILES
C1=CC(=CC(=C1)I)O
InChI
InChI=1S/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
FXTKWBZFNQHAAO-UHFFFAOYSA-N
Compound name
3-iodophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

3362
Patents

219.9385 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.94578 127.4
[M+Na]+ 242.92772 133.3
[M+NH4]+ 237.97232 132.5
[M+K]+ 258.90166 130.2
[M-H]- 218.93122 123.5
[M+Na-2H]- 240.91317 122.6
[M]+ 219.93795 126.1
[M]- 219.93905 126.1
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