CID 2775080

Bromocyclododecane

Structural Information

Molecular Formula
C12H23Br
SMILES
C1CCCCCC(CCCCC1)Br
InChI
InChI=1S/C12H23Br/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2
InChIKey
IADKAKQBSKWITE-UHFFFAOYSA-N
Compound name
bromocyclododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

246.09831 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10559 153.8
[M+Na]+ 269.08753 159.2
[M-H]- 245.09103 156.3
[M+NH4]+ 264.13213 171.7
[M+K]+ 285.06147 150.0
[M+H-H2O]+ 229.09557 157.1
[M+HCOO]- 291.09651 168.2
[M+CH3COO]- 305.11216 184.4
[M+Na-2H]- 267.07298 156.8
[M]+ 246.09776 161.4
[M]- 246.09886 161.4
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