CID 43202

Ethyl p-iodophenyethyl carbonate

Structural Information

Molecular Formula
C11H13IO3
SMILES
CCOC(=O)OCCC1=CC=C(C=C1)I
InChI
InChI=1S/C11H13IO3/c1-2-14-11(13)15-8-7-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey
FJROMEZDHMWBKJ-UHFFFAOYSA-N
Compound name
ethyl 2-(4-iodophenyl)ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.99094 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.99822 158.4
[M+Na]+ 342.98016 158.5
[M-H]- 318.98366 154.8
[M+NH4]+ 338.02476 172.3
[M+K]+ 358.95410 163.1
[M+H-H2O]+ 302.98820 148.4
[M+HCOO]- 364.98914 176.6
[M+CH3COO]- 379.00479 194.2
[M+Na-2H]- 340.96561 150.7
[M]+ 319.99039 159.4
[M]- 319.99149 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.