CID 3014710

Benzene, bromopentachloro-

Structural Information

Molecular Formula
C6BrCl5
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Br)Cl)Cl)Cl
InChI
InChI=1S/C6BrCl5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
TZHWGHMDCFAJPT-UHFFFAOYSA-N
Compound name
1-bromo-2,3,4,5,6-pentachlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

325.7626 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.76988 146.0
[M+Na]+ 348.75182 161.6
[M-H]- 324.75532 147.9
[M+NH4]+ 343.79642 164.5
[M+K]+ 364.72576 147.8
[M+H-H2O]+ 308.75986 149.7
[M+HCOO]- 370.76080 143.6
[M+CH3COO]- 384.77645 203.8
[M+Na-2H]- 346.73727 148.6
[M]+ 325.76205 162.4
[M]- 325.76315 162.4
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