CID 14537228

5,5-bis(bromomethyl)-2,2-dimethyl-1,3-dioxane

Structural Information

Molecular Formula
C8H14Br2O2
SMILES
CC1(OCC(CO1)(CBr)CBr)C
InChI
InChI=1S/C8H14Br2O2/c1-7(2)11-5-8(3-9,4-10)6-12-7/h3-6H2,1-2H3
InChIKey
CEWDAROJZGKUGQ-UHFFFAOYSA-N
Compound name
5,5-bis(bromomethyl)-2,2-dimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

587
Patents

299.93604 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.94332 142.1
[M+Na]+ 322.92526 151.8
[M-H]- 298.92876 149.6
[M+NH4]+ 317.96986 162.3
[M+K]+ 338.89920 139.8
[M+H-H2O]+ 282.93330 152.0
[M+HCOO]- 344.93424 154.6
[M+CH3COO]- 358.94989 201.9
[M+Na-2H]- 320.91071 151.5
[M]+ 299.93549 176.9
[M]- 299.93659 176.9
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