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

1608
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 192.6
[M+Na]+ 432.09206 189.9
[M-H]- 408.09556 190.4
[M+NH4]+ 427.13666 202.1
[M+K]+ 448.06600 185.5
[M+H-H2O]+ 392.10010 182.5
[M+HCOO]- 454.10104 208.9
[M+CH3COO]- 468.11669 207.0
[M+Na-2H]- 430.07751 185.2
[M]+ 409.10229 191.2
[M]- 409.10339 191.2
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