CID 9874245

121239-75-6

Structural Information

Molecular Formula
C20H26IO
SMILES
CCCCCCCCOC1=CC=C(C=C1)[I+]C2=CC=CC=C2
InChI
InChI=1S/C20H26IO/c1-2-3-4-5-6-10-17-22-20-15-13-19(14-16-20)21-18-11-8-7-9-12-18/h7-9,11-16H,2-6,10,17H2,1H3/q+1
InChIKey
VQVGJEIVVJBMCV-UHFFFAOYSA-N
Compound name
(4-octoxyphenyl)-phenyliodanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1503
Patents

409.10284 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11012 185.2
[M+Na]+ 432.09206 193.5
[M+NH4]+ 427.13666 190.6
[M+K]+ 448.06600 186.8
[M-H]- 408.09556 185.7
[M+Na-2H]- 430.07751 182.1
[M]+ 409.10229 186.0
[M]- 409.10339 186.0
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

patents stripe