CID 13346227

Ethyl alpha-iodophenylacetate

Structural Information

Molecular Formula

C₁₀H₁₁IO₂

SMILES

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

InChI

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

InChIKey

GFYUBPKXVMWINH-UHFFFAOYSA-N

Compound name

ethyl 2-iodo-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 289.98038 Da
Monoisotopic Mass: 2.9
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]+	290.98766	150.1
[M+Na]+	312.96960	149.5
[M-H]-	288.97310	146.4
[M+NH4]+	308.01420	164.8
[M+K]+	328.94354	154.2
[M+H-H2O]+	272.97764	140.4
[M+HCOO]-	334.97858	167.6
[M+CH3COO]-	348.99423	189.9
[M+Na-2H]-	310.95505	142.5
[M]+	289.97983	148.6
[M]-	289.98093	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe