CID 522752

3-(2-bromoethyl)oxolan-2-one

Structural Information

Molecular Formula
C6H9BrO2
SMILES
C1COC(=O)C1CCBr
InChI
InChI=1S/C6H9BrO2/c7-3-1-5-2-4-9-6(5)8/h5H,1-4H2
InChIKey
IGLXGNWTGHUHHI-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

191.97859 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 137.1
[M+Na]+ 214.96781 138.4
[M+NH4]+ 210.01241 141.9
[M+K]+ 230.94175 140.5
[M-H]- 190.97131 137.7
[M+Na-2H]- 212.95326 137.8
[M]+ 191.97804 136.1
[M]- 191.97914 136.1
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