CID 15776

1828-09-7

Structural Information

Molecular Formula

C₁₂H₈F₂I

SMILES

C1=CC(=CC=C1F)[I+]C2=CC=C(C=C2)F

InChI

InChI=1S/C12H8F2I/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H/q+1

InChIKey

PHVCCRNHUOHRPC-UHFFFAOYSA-N

Compound name

bis(4-fluorophenyl)iodanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 261
Patents: 316.96387 Da
Monoisotopic Mass: 4.5
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]+	317.97115	150.8
[M+Na]+	339.95309	152.7
[M-H]-	315.95659	148.1
[M+NH4]+	334.99769	164.3
[M+K]+	355.92703	148.9
[M+H-H2O]+	299.96113	141.3
[M+HCOO]-	361.96207	167.9
[M+CH3COO]-	375.97772	188.8
[M+Na-2H]-	337.93854	146.8
[M]+	316.96332	144.2
[M]-	316.96442	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe