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
5
Annotation Hits

834
References

20409
Patents

635.6509 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.658176 184.6
[M+Na]+ 658.640118 193.8
[M-H]- 634.643624 188.1
[M+NH4]+ 653.684723 190.1
[M+K]+ 674.614058 183.3
[M+H-H2O]+ 618.648160 198.9
[M+HCOO]- 680.649101 186.6
[M+CH3COO]- 694.664751 251.0
[M+Na-2H]- 656.625566 182.1
[M]+ 635.65035142 204.6
[M]- 635.65144858 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