CID 24721631

2-amino-3-iodo-phenol

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H6INO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2

InChIKey

VMFLCURUMAEIAO-UHFFFAOYSA-N

Compound name

2-amino-3-iodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 234.94942 Da
Monoisotopic Mass: 1.5
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]+	235.956696	136.2
[M+Na]+	257.938638	138.0
[M-H]-	233.942144	131.9
[M+NH4]+	252.983243	152.4
[M+K]+	273.912578	141.5
[M+H-H2O]+	217.946680	127.5
[M+HCOO]-	279.947621	155.2
[M+CH3COO]-	293.963271	180.0
[M+Na-2H]-	255.924086	130.2
[M]+	234.94887142	131.1
[M]-	234.94996858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe