CID 520590

1-iodo-2,3,5,6-tetrachlorobenzene

Structural Information

Molecular Formula
C6HCl4I
SMILES
C1=C(C(=C(C(=C1Cl)Cl)I)Cl)Cl
InChI
InChI=1S/C6HCl4I/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
OUOGYOBZKZJEQN-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrachloro-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

339.78772 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.79500 137.4
[M+Na]+ 362.77694 142.9
[M-H]- 338.78044 132.2
[M+NH4]+ 357.82154 152.2
[M+K]+ 378.75088 142.5
[M+H-H2O]+ 322.78498 132.4
[M+HCOO]- 384.78592 138.2
[M+CH3COO]- 398.80157 198.0
[M+Na-2H]- 360.76239 130.3
[M]+ 339.78717 137.2
[M]- 339.78827 137.2
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

patents stripe