CID 122452

1,4-dichloro-2-iodobenzene

Structural Information

Molecular Formula
C6H3Cl2I
SMILES
C1=CC(=C(C=C1Cl)I)Cl
InChI
InChI=1S/C6H3Cl2I/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
SBHVNORGKIPGCL-UHFFFAOYSA-N
Compound name
1,4-dichloro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

347
Patents

271.86566 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.87294 130.8
[M+Na]+ 294.85488 139.4
[M+NH4]+ 289.89948 137.1
[M+K]+ 310.82882 134.5
[M-H]- 270.85838 128.0
[M+Na-2H]- 292.84033 127.6
[M]+ 271.86511 130.9
[M]- 271.86621 130.9
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