CID 10879908

89891-82-7

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C#CI)Cl

InChI

InChI=1S/C8H4ClI/c9-8-3-1-7(2-4-8)5-6-10/h1-4H

InChIKey

YPTYBHDVZXSARL-UHFFFAOYSA-N

Compound name

1-chloro-4-(2-iodoethynyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.90463 Da
Monoisotopic Mass: 3.6
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]+	262.91191	132.8
[M+Na]+	284.89385	140.5
[M+NH4]+	279.93845	135.6
[M+K]+	300.86779	133.1
[M-H]-	260.89735	123.1
[M+Na-2H]-	282.87930	127.7
[M]+	261.90408	129.9
[M]-	261.90518	129.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.