CID 75356445

2-bromo-1-(oxolan-3-yl)ethan-1-one

Structural Information

Molecular Formula
C6H9BrO2
SMILES
C1COCC1C(=O)CBr
InChI
InChI=1S/C6H9BrO2/c7-3-6(8)5-1-2-9-4-5/h5H,1-4H2
InChIKey
AFYWQQAFNRKSGS-UHFFFAOYSA-N
Compound name
2-bromo-1-(oxolan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

191.97859 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 136.9
[M+Na]+ 214.967808 146.9
[M-H]- 190.971314 143.3
[M+NH4]+ 210.012413 160.1
[M+K]+ 230.941748 138.8
[M+H-H2O]+ 174.975850 137.7
[M+HCOO]- 236.976791 156.5
[M+CH3COO]- 250.992441 178.0
[M+Na-2H]- 212.953256 142.9
[M]+ 191.97804142 154.1
[M]- 191.97913858 154.1
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