CID 91188

2,12-dibromocyclododecanone

Structural Information

Molecular Formula
C12H20Br2O
SMILES
C1CCCCC(C(=O)C(CCCC1)Br)Br
InChI
InChI=1S/C12H20Br2O/c13-10-8-6-4-2-1-3-5-7-9-11(14)12(10)15/h10-11H,1-9H2
InChIKey
CLAFKWVRFMBEBC-UHFFFAOYSA-N
Compound name
2,12-dibromocyclododecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.9881 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.99538 157.3
[M+Na]+ 360.97732 164.6
[M-H]- 336.98082 161.5
[M+NH4]+ 356.02192 173.1
[M+K]+ 376.95126 150.4
[M+H-H2O]+ 320.98536 168.3
[M+HCOO]- 382.98630 168.1
[M+CH3COO]- 397.00195 204.2
[M+Na-2H]- 358.96277 159.6
[M]+ 337.98755 183.4
[M]- 337.98865 183.4
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