CID 18529

1,2,5,6,9,10-hexabromocyclododecane

Structural Information

Molecular Formula
C12H18Br6
SMILES
C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2
InChIKey
DEIGXXQKDWULML-UHFFFAOYSA-N
Compound name
1,2,5,6,9,10-hexabromocyclododecane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

850
References

19637
Patents

635.6509 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.65818 184.6
[M+Na]+ 658.64012 193.8
[M-H]- 634.64362 188.1
[M+NH4]+ 653.68472 190.1
[M+K]+ 674.61406 183.3
[M+H-H2O]+ 618.64816 198.9
[M+HCOO]- 680.64910 186.6
[M+CH3COO]- 694.66475 251.0
[M+Na-2H]- 656.62557 182.1
[M]+ 635.65035 204.6
[M]- 635.65145 204.6
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