CID 122453

1-bromo-2,4,5-trichlorobenzene

Structural Information

Molecular Formula
C6H2BrCl3
SMILES
C1=C(C(=CC(=C1Cl)Br)Cl)Cl
InChI
InChI=1S/C6H2BrCl3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey
PHDKZIIWDGIUCG-UHFFFAOYSA-N
Compound name
1-bromo-2,4,5-trichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

257.84055 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.84783 134.2
[M+Na]+ 280.82977 150.2
[M-H]- 256.83327 139.6
[M+NH4]+ 275.87437 156.7
[M+K]+ 296.80371 135.8
[M+H-H2O]+ 240.83781 137.6
[M+HCOO]- 302.83875 142.7
[M+CH3COO]- 316.85440 190.1
[M+Na-2H]- 278.81522 141.2
[M]+ 257.84000 154.6
[M]- 257.84110 154.6
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