CID 33121

Saytex hbcd

Structural Information

Molecular Formula
C12H18Br6
SMILES
C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2
InChIKey
LEOCKULGXOQRTQ-UHFFFAOYSA-N
Compound name
1,3,5,7,9,11-hexabromocyclododecane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

723
References

39
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.