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

9
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 145.5
[M+Na]+ 302.94885 150.2
[M+NH4]+ 297.99345 148.8
[M+K]+ 318.92279 148.2
[M-H]- 278.95235 140.1
[M+Na-2H]- 300.93430 138.0
[M]+ 279.95908 143.5
[M]- 279.96018 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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