CID 43193

Carbonic acid, ethyl p-iodobenzyl ester

Structural Information

Molecular Formula

C₁₀H₁₁IO₃

SMILES

CCOC(=O)OCC1=CC=C(C=C1)I

InChI

InChI=1S/C10H11IO3/c1-2-13-10(12)14-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3

InChIKey

LTROSKCJAWOJGP-UHFFFAOYSA-N

Compound name

ethyl (4-iodophenyl)methyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 305.97528 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]+	306.98256	153.5
[M+Na]+	328.96450	154.0
[M-H]-	304.96800	150.0
[M+NH4]+	324.00910	167.9
[M+K]+	344.93844	158.8
[M+H-H2O]+	288.97254	143.7
[M+HCOO]-	350.97348	172.0
[M+CH3COO]-	364.98913	191.4
[M+Na-2H]-	326.94995	146.3
[M]+	305.97473	154.2
[M]-	305.97583	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe