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

24
Patents

179.97859 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.98587 131.9
[M+Na]+ 202.96781 144.9
[M-H]- 178.97131 139.8
[M+NH4]+ 198.01241 149.8
[M+K]+ 218.94175 136.3
[M+H-H2O]+ 162.97585 131.4
[M+HCOO]- 224.97679 153.4
[M+CH3COO]- 238.99244 180.9
[M+Na-2H]- 200.95326 141.7
[M]+ 179.97804 154.7
[M]- 179.97914 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