CID 44891178

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe