CID 3101

Diphenyleneiodonium

Structural Information

Molecular Formula
C12H8I
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2
InChI
InChI=1S/C12H8I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H/q+1
InChIKey
QFXKXRXFBRLLPQ-UHFFFAOYSA-N
Compound name
8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

995
References

1979
Patents

278.96707 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.97435 138.4
[M+Na]+ 301.95629 147.9
[M+NH4]+ 297.00089 146.8
[M+K]+ 317.93023 144.6
[M-H]- 277.95979 138.5
[M+Na-2H]- 299.94174 135.5
[M]+ 278.96652 139.3
[M]- 278.96762 139.3
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