CID 72941461

5,5-bis(bromoacetoxymethyl)-m-dioxane

Structural Information

Molecular Formula
C10H14Br2O6
SMILES
C1C(COCO1)(COC(=O)CBr)COC(=O)CBr
InChI
InChI=1S/C10H14Br2O6/c11-1-8(13)17-5-10(3-15-7-16-4-10)6-18-9(14)2-12/h1-7H2
InChIKey
JFSBYZYBHKVSIK-UHFFFAOYSA-N
Compound name
[5-[(2-bromoacetyl)oxymethyl]-1,3-dioxan-5-yl]methyl 2-bromoacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

387.9157 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.92298 160.0
[M+Na]+ 410.90492 166.8
[M-H]- 386.90842 166.3
[M+NH4]+ 405.94952 174.9
[M+K]+ 426.87886 155.5
[M+H-H2O]+ 370.91296 167.8
[M+HCOO]- 432.91390 170.9
[M+CH3COO]- 446.92955 211.2
[M+Na-2H]- 408.89037 166.1
[M]+ 387.91515 196.5
[M]- 387.91625 196.5
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.