CID 12877

Diphenyliodonium

Structural Information

Molecular Formula

C₁₂H₁₀I

SMILES

C1=CC=C(C=C1)[I+]C2=CC=CC=C2

InChI

InChI=1S/C12H10I/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H/q+1

InChIKey

OZLBDYMWFAHSOQ-UHFFFAOYSA-N

Compound name

diphenyliodanium

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 171
References: 38456
Patents: 280.98273 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	281.99001	148.5
[M+Na]+	303.97195	148.5
[M-H]-	279.97545	147.7
[M+NH4]+	299.01655	162.9
[M+K]+	319.94589	145.6
[M+H-H2O]+	263.97999	140.5
[M+HCOO]-	325.98093	167.6
[M+CH3COO]-	339.99658	181.8
[M+Na-2H]-	301.95740	146.7
[M]+	280.98218	143.2
[M]-	280.98328	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe