CID 10894

4-iodophenol

Structural Information

Molecular Formula
C6H5IO
SMILES
C1=CC(=CC=C1O)I
InChI
InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey
VSMDINRNYYEDRN-UHFFFAOYSA-N
Compound name
4-iodophenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

91
References

11189
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 128.2
[M+Na]+ 242.92772 130.0
[M-H]- 218.93122 124.1
[M+NH4]+ 237.97232 145.4
[M+K]+ 258.90166 134.0
[M+H-H2O]+ 202.93576 119.9
[M+HCOO]- 264.93670 147.0
[M+CH3COO]- 278.95235 175.0
[M+Na-2H]- 240.91317 124.1
[M]+ 219.93795 124.5
[M]- 219.93905 124.5
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