CID 43200

60075-72-1

Structural Information

Molecular Formula
C16H23IO3
SMILES
CCCCC(CC)COC(=O)OCC1=CC=C(C=C1)I
InChI
InChI=1S/C16H23IO3/c1-3-5-6-13(4-2)11-19-16(18)20-12-14-7-9-15(17)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3
InChIKey
ZMRCGCQZTPUXRF-UHFFFAOYSA-N
Compound name
2-ethylhexyl (4-iodophenyl)methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.06918 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.07646 180.3
[M+Na]+ 413.05840 183.2
[M+NH4]+ 408.10300 182.5
[M+K]+ 429.03234 179.7
[M-H]- 389.06190 174.8
[M+Na-2H]- 411.04385 171.4
[M]+ 390.06863 177.9
[M]- 390.06973 177.9
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.