CID 45610

Bis(p-iodophenyl)iodonium sulfate

Structural Information

Molecular Formula
C12H8I3
SMILES
C1=CC(=CC=C1I)[I+]C2=CC=C(C=C2)I
InChI
InChI=1S/C12H8I3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H/q+1
InChIKey
VEBYTCKUZTVKRZ-UHFFFAOYSA-N
Compound name
bis(4-iodophenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

532.776 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.78328 175.0
[M+Na]+ 555.76522 162.8
[M-H]- 531.76872 166.2
[M+NH4]+ 550.80982 177.2
[M+K]+ 571.73916 171.7
[M+H-H2O]+ 515.77326 163.2
[M+HCOO]- 577.77420 180.0
[M+CH3COO]- 591.78985 219.4
[M+Na-2H]- 553.75067 161.5
[M]+ 532.77545 167.3
[M]- 532.77655 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe