CID 15724678

Cyclododecane, hexabromo-

Structural Information

Molecular Formula
C12H18Br6
SMILES
C1CCCCC(C(C(CCCC1)(Br)Br)(Br)Br)(Br)Br
InChI
InChI=1S/C12H18Br6/c13-10(14)8-6-4-2-1-3-5-7-9-11(15,16)12(10,17)18/h1-9H2
InChIKey
SHRRVNVEOIKVSG-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexabromocyclododecane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

10724
Patents

635.6509 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.65818 188.9
[M+Na]+ 658.64012 198.1
[M-H]- 634.64362 192.5
[M+NH4]+ 653.68472 194.8
[M+K]+ 674.61406 187.7
[M+H-H2O]+ 618.64816 203.6
[M+HCOO]- 680.64910 190.9
[M+CH3COO]- 694.66475 250.7
[M+Na-2H]- 656.62557 186.4
[M]+ 635.65035 209.3
[M]- 635.65145 209.3
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