CID 11160672

4-amino-3-iodophenol

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1O)I)N

InChI

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

InChIKey

LVXHSULEIVXXMO-UHFFFAOYSA-N

Compound name

4-amino-3-iodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
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]+	235.95670	136.2
[M+Na]+	257.93864	138.0
[M-H]-	233.94214	131.9
[M+NH4]+	252.98324	152.4
[M+K]+	273.91258	141.5
[M+H-H2O]+	217.94668	127.5
[M+HCOO]-	279.94762	155.2
[M+CH3COO]-	293.96327	180.0
[M+Na-2H]-	255.92409	130.2
[M]+	234.94887	131.1
[M]-	234.94997	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe