CID 3042611

(4-iodophenyl)methyl octyl carbonate

Structural Information

Molecular Formula
C16H23IO3
SMILES
CCCCCCCCOC(=O)OCC1=CC=C(C=C1)I
InChI
InChI=1S/C16H23IO3/c1-2-3-4-5-6-7-12-19-16(18)20-13-14-8-10-15(17)11-9-14/h8-11H,2-7,12-13H2,1H3
InChIKey
MIFPNHUFTGFIBJ-UHFFFAOYSA-N
Compound name
(4-iodophenyl)methyl octyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.06918 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.07646 179.8
[M+Na]+ 413.05840 182.9
[M+NH4]+ 408.10300 182.0
[M+K]+ 429.03234 178.7
[M-H]- 389.06190 174.5
[M+Na-2H]- 411.04385 171.2
[M]+ 390.06863 177.5
[M]- 390.06973 177.5
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.