CID 15171834

4-(hydroxymethyl)-2-iodo-6-methoxyphenol

Structural Information

Molecular Formula
C8H9IO3
SMILES
COC1=C(C(=CC(=C1)CO)I)O
InChI
InChI=1S/C8H9IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,10-11H,4H2,1H3
InChIKey
YQQRUTNMNAZIAR-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-2-iodo-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

279.95963 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.96691 146.3
[M+Na]+ 302.94885 148.3
[M-H]- 278.95235 141.1
[M+NH4]+ 297.99345 160.9
[M+K]+ 318.92279 152.1
[M+H-H2O]+ 262.95689 137.6
[M+HCOO]- 324.95783 163.3
[M+CH3COO]- 338.97348 184.4
[M+Na-2H]- 300.93430 138.9
[M]+ 279.95908 144.9
[M]- 279.96018 144.9
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