CID 4574491

5-bromo-1,3-dichloro-2-iodobenzene

Structural Information

Molecular Formula
C6H2BrCl2I
SMILES
C1=C(C=C(C(=C1Cl)I)Cl)Br
InChI
InChI=1S/C6H2BrCl2I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
ZKNRQIMIXPBAGW-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dichloro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

349.77618 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.783456 137.4
[M+Na]+ 372.765398 146.3
[M-H]- 348.768904 137.3
[M+NH4]+ 367.810003 155.8
[M+K]+ 388.739338 138.4
[M+H-H2O]+ 332.773440 136.5
[M+HCOO]- 394.774381 146.8
[M+CH3COO]- 408.790031 195.3
[M+Na-2H]- 370.750846 134.2
[M]+ 349.77563142 155.0
[M]- 349.77672858 155.0
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