CID 188015

1,2,3-trichloro-4-iodobenzene

Structural Information

Molecular Formula
C6H2Cl3I
SMILES
C1=CC(=C(C(=C1Cl)Cl)Cl)I
InChI
InChI=1S/C6H2Cl3I/c7-3-1-2-4(10)6(9)5(3)8/h1-2H
InChIKey
LZKJHOBHWRQKIL-UHFFFAOYSA-N
Compound name
1,2,3-trichloro-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

305.8267 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.83398 132.7
[M+Na]+ 328.81592 137.8
[M-H]- 304.81942 128.6
[M+NH4]+ 323.86052 149.0
[M+K]+ 344.78986 137.9
[M+H-H2O]+ 288.82396 126.9
[M+HCOO]- 350.82490 138.7
[M+CH3COO]- 364.84055 191.3
[M+Na-2H]- 326.80137 126.9
[M]+ 305.82615 133.1
[M]- 305.82725 133.1
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