CID 203445

Triiodosalicylanilide

Structural Information

Molecular Formula

C₁₃H₈I₃NO₂

SMILES

C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)I

InChI

InChI=1S/C13H8I3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)

InChIKey

QOUSLZBAJRLUGM-UHFFFAOYSA-N

Compound name

2-hydroxy-3,5-diiodo-N-(4-iodophenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 58
Patents: 590.7689 Da
Monoisotopic Mass: 6.5
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]+	591.77618	187.4
[M+Na]+	613.75812	174.9
[M-H]-	589.76162	178.3
[M+NH4]+	608.80272	187.8
[M+K]+	629.73206	187.2
[M+H-H2O]+	573.76616	173.7
[M+HCOO]-	635.76710	191.7
[M+CH3COO]-	649.78275	229.6
[M+Na-2H]-	611.74357	170.3
[M]+	590.76835	180.2
[M]-	590.76945	180.2

Literature stripe

literature stripe

Patent stripe

patents stripe