CID 19753060

2-[(2-bromoethoxy)methyl]oxirane

Structural Information

Molecular Formula
C5H9BrO2
SMILES
C1C(O1)COCCBr
InChI
InChI=1S/C5H9BrO2/c6-1-2-7-3-5-4-8-5/h5H,1-4H2
InChIKey
GDLGFURVIFFVHU-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

179.97859 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.985866 131.9
[M+Na]+ 202.967808 144.9
[M-H]- 178.971314 139.8
[M+NH4]+ 198.012413 149.8
[M+K]+ 218.941748 136.3
[M+H-H2O]+ 162.975850 131.4
[M+HCOO]- 224.976791 153.4
[M+CH3COO]- 238.992441 180.9
[M+Na-2H]- 200.953256 141.7
[M]+ 179.97804142 154.7
[M]- 179.97913858 154.7
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