CID 87776

2-(2-bromoethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C5H9BrO2
SMILES
C1COC(O1)CCBr
InChI
InChI=1S/C5H9BrO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2
InChIKey
GGZQLTVZPOGLCC-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2138
Patents

179.97859 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.985866 133.3
[M+Na]+ 202.967808 143.7
[M-H]- 178.971314 140.2
[M+NH4]+ 198.012413 155.8
[M+K]+ 218.941748 136.9
[M+H-H2O]+ 162.975850 134.4
[M+HCOO]- 224.976791 153.0
[M+CH3COO]- 238.992441 175.3
[M+Na-2H]- 200.953256 141.8
[M]+ 179.97804142 152.0
[M]- 179.97913858 152.0
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