CID 15724678

1,1,2,2,3,3-hexabromocyclododecane

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
1
Annotation Hits

4
References

11756
Patents

635.6509 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.658176 188.9
[M+Na]+ 658.640118 198.1
[M-H]- 634.643624 192.5
[M+NH4]+ 653.684723 194.8
[M+K]+ 674.614058 187.7
[M+H-H2O]+ 618.648160 203.6
[M+HCOO]- 680.649101 190.9
[M+CH3COO]- 694.664751 250.7
[M+Na-2H]- 656.625566 186.4
[M]+ 635.65035142 209.3
[M]- 635.65144858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.