CID 140526

2-bromo-1,3,5-trichlorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
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

literature stripe

Patent stripe

patents stripe