CID 40825

Bis(p-bromophenyl)iodonium chloride

Structural Information

Molecular Formula

C₁₂H₈Br₂I

SMILES

C1=CC(=CC=C1Br)[I+]C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H8Br2I/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H/q+1

InChIKey

RKJMYAKRQZRZCW-UHFFFAOYSA-N

Compound name

bis(4-bromophenyl)iodanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 436.80374 Da
Monoisotopic Mass: 5.7
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]+	437.81102	163.7
[M+Na]+	459.79296	168.5
[M-H]-	435.79646	167.1
[M+NH4]+	454.83756	177.6
[M+K]+	475.76690	154.3
[M+H-H2O]+	419.80100	170.1
[M+HCOO]-	481.80194	176.1
[M+CH3COO]-	495.81759	208.7
[M+Na-2H]-	457.77841	162.7
[M]+	436.80319	192.8
[M]-	436.80429	192.8

Literature stripe

literature stripe

Patent stripe

patents stripe