CID 6905

Hexabromobenzene

Structural Information

Molecular Formula
C6Br6
SMILES
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
CAYGQBVSOZLICD-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexabromobenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

92
References

10624
Patents

545.51 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.517276 175.6
[M+Na]+ 568.499218 185.5
[M-H]- 544.502724 179.5
[M+NH4]+ 563.543823 181.8
[M+K]+ 584.473158 174.8
[M+H-H2O]+ 528.507260 189.7
[M+HCOO]- 590.508201 178.6
[M+CH3COO]- 604.523851 250.2
[M+Na-2H]- 566.484666 174.4
[M]+ 545.50945142 196.6
[M]- 545.51054858 196.6
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