CID 10879908

89891-82-7

Structural Information

Molecular Formula
C8H4ClI
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.91191 134.6
[M+Na]+ 284.89385 140.4
[M-H]- 260.89735 130.8
[M+NH4]+ 279.93845 149.9
[M+K]+ 300.86779 139.6
[M+H-H2O]+ 244.90189 121.6
[M+HCOO]- 306.90283 145.3
[M+CH3COO]- 320.91848 190.9
[M+Na-2H]- 282.87930 130.3
[M]+ 261.90408 128.5
[M]- 261.90518 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.