CID 88591

1,2-dichloro-4-iodobenzene

Structural Information

Molecular Formula
C6H3Cl2I
SMILES
C1=CC(=C(C=C1I)Cl)Cl
InChI
InChI=1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKey
NADPFZNWCQIJJW-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

622
Patents

271.86566 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.87294 129.0
[M+Na]+ 294.85488 133.3
[M-H]- 270.85838 125.7
[M+NH4]+ 289.89948 146.4
[M+K]+ 310.82882 134.4
[M+H-H2O]+ 254.86292 122.4
[M+HCOO]- 316.86386 140.1
[M+CH3COO]- 330.87951 185.0
[M+Na-2H]- 292.84033 124.5
[M]+ 271.86511 129.0
[M]- 271.86621 129.0
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