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

10587
Patents

545.51 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.51728 175.6
[M+Na]+ 568.49922 185.5
[M-H]- 544.50272 179.5
[M+NH4]+ 563.54382 181.8
[M+K]+ 584.47316 174.8
[M+H-H2O]+ 528.50726 189.7
[M+HCOO]- 590.50820 178.6
[M+CH3COO]- 604.52385 250.2
[M+Na-2H]- 566.48467 174.4
[M]+ 545.50945 196.6
[M]- 545.51055 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.