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

5
Patents

223.96841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97569 142.4
[M+Na]+ 246.95763 152.1
[M-H]- 222.96113 149.2
[M+NH4]+ 242.00223 163.0
[M+K]+ 262.93157 145.8
[M+H-H2O]+ 206.96567 142.9
[M+HCOO]- 268.96661 161.4
[M+CH3COO]- 282.98226 181.3
[M+Na-2H]- 244.94308 149.3
[M]+ 223.96786 162.8
[M]- 223.96896 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