CID 73884

1488-42-2

Structural Information

Molecular Formula

C₁₃H₁₀IO₂

SMILES

C1=CC=C(C=C1)[I+]C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H9IO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H/p+1

InChIKey

LUGVQQXOGHCZNN-UHFFFAOYSA-O

Compound name

(2-carboxyphenyl)-phenyliodanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 370
Patents: 324.97256 Da
Monoisotopic Mass: 3.7
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]+	325.97984	161.8
[M+Na]+	347.96178	161.5
[M-H]-	323.96528	159.9
[M+NH4]+	343.00638	173.8
[M+K]+	363.93572	158.4
[M+H-H2O]+	307.96982	153.6
[M+HCOO]-	369.97076	178.6
[M+CH3COO]-	383.98641	186.4
[M+Na-2H]-	345.94723	156.9
[M]+	324.97201	156.6
[M]-	324.97311	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe