CID 287426

6,12-dibromo-1,4-dioxaspiro[4.7]dodecane

Structural Information

Molecular Formula
C10H16Br2O2
SMILES
C1CCC(C2(C(CC1)Br)OCCO2)Br
InChI
InChI=1S/C10H16Br2O2/c11-8-4-2-1-3-5-9(12)10(8)13-6-7-14-10/h8-9H,1-7H2
InChIKey
OQCIVOUQHXUSEL-UHFFFAOYSA-N
Compound name
6,12-dibromo-1,4-dioxaspiro[4.7]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.9517 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.95898 157.9
[M+Na]+ 348.94092 162.8
[M-H]- 324.94442 161.7
[M+NH4]+ 343.98552 166.4
[M+K]+ 364.91486 158.3
[M+H-H2O]+ 308.94896 161.0
[M+HCOO]- 370.94990 162.6
[M+CH3COO]- 384.96555 162.7
[M+Na-2H]- 346.92637 158.1
[M]+ 325.95115 170.8
[M]- 325.95225 170.8
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.