CID 18525941

5-(hydroxymethyl)-2-iodophenol

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1CO)O)I

InChI

InChI=1S/C7H7IO2/c8-6-2-1-5(4-9)3-7(6)10/h1-3,9-10H,4H2

InChIKey

VIWWSAGABDIIFF-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-2-iodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 249.94908 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	250.95636	136.9
[M+Na]+	272.93830	141.9
[M+NH4]+	267.98290	140.9
[M+K]+	288.91224	139.5
[M-H]-	248.94180	132.0
[M+Na-2H]-	270.92375	130.4
[M]+	249.94853	135.1
[M]-	249.94963	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe