CID 14639536

Ethyl 2-(2-iodophenyl)acetate

Structural Information

Molecular Formula

C₁₀H₁₁IO₂

SMILES

CCOC(=O)CC1=CC=CC=C1I

InChI

InChI=1S/C10H11IO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3

InChIKey

XBKDPADMOCFNED-UHFFFAOYSA-N

Compound name

ethyl 2-(2-iodophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 289.98038 Da
Monoisotopic Mass: 3.0
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]+	290.987656	148.9
[M+Na]+	312.969598	149.5
[M-H]-	288.973104	145.5
[M+NH4]+	308.014203	164.0
[M+K]+	328.943538	153.8
[M+H-H2O]+	272.977640	139.4
[M+HCOO]-	334.978581	167.3
[M+CH3COO]-	348.994231	190.1
[M+Na-2H]-	310.955046	141.9
[M]+	289.97983142	148.4
[M]-	289.98092858	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe