CID 43189

Carbonic acid, hexyl p-iodophenyl ester

Structural Information

Molecular Formula

C₁₃H₁₇IO₃

SMILES

CCCCCCOC(=O)OC1=CC=C(C=C1)I

InChI

InChI=1S/C13H17IO3/c1-2-3-4-5-10-16-13(15)17-12-8-6-11(14)7-9-12/h6-9H,2-5,10H2,1H3

InChIKey

LHEMZFYPDHEYCS-UHFFFAOYSA-N

Compound name

hexyl (4-iodophenyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 348.02225 Da
Monoisotopic Mass: 5.1
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]+	349.02953	168.3
[M+Na]+	371.01147	167.6
[M-H]-	347.01497	164.3
[M+NH4]+	366.05607	181.0
[M+K]+	386.98541	171.6
[M+H-H2O]+	331.01951	157.8
[M+HCOO]-	393.02045	185.8
[M+CH3COO]-	407.03610	199.9
[M+Na-2H]-	368.99692	159.4
[M]+	348.02170	170.0
[M]-	348.02280	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe