CID 76724

Iodobenzene diacetate

Structural Information

Molecular Formula

C₁₀H₁₁IO₄

SMILES

CC(=O)OI(C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3

InChIKey

ZBIKORITPGTTGI-UHFFFAOYSA-N

Compound name

[acetyloxy(phenyl)-lambda3-iodanyl] acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16
References: 14731
Patents: 321.9702 Da
Monoisotopic Mass: 2.8
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]+	322.97748	157.8
[M+Na]+	344.95942	160.7
[M+NH4]+	340.00402	160.0
[M+K]+	360.93336	159.6
[M-H]-	320.96292	151.6
[M+Na-2H]-	342.94487	149.7
[M]+	321.96965	155.1
[M]-	321.97075	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe