CID 107375

4-bromoacetoxymethyl-m-dioxolane

Structural Information

Molecular Formula
C6H9BrO4
SMILES
C1C(OCO1)COC(=O)CBr
InChI
InChI=1S/C6H9BrO4/c7-1-6(8)10-3-5-2-9-4-11-5/h5H,1-4H2
InChIKey
XIPUPLUONQGLHW-UHFFFAOYSA-N
Compound name
1,3-dioxolan-4-ylmethyl 2-bromoacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

223.96841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.975686 142.4
[M+Na]+ 246.957628 152.1
[M-H]- 222.961134 149.2
[M+NH4]+ 242.002233 163.0
[M+K]+ 262.931568 145.8
[M+H-H2O]+ 206.965670 142.9
[M+HCOO]- 268.966611 161.4
[M+CH3COO]- 282.982261 181.3
[M+Na-2H]- 244.943076 149.3
[M]+ 223.96786142 162.8
[M]- 223.96895858 162.8
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

patents stripe