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

21
Patents

191.97859 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 136.9
[M+Na]+ 214.96781 146.9
[M-H]- 190.97131 143.3
[M+NH4]+ 210.01241 160.1
[M+K]+ 230.94175 138.8
[M+H-H2O]+ 174.97585 137.7
[M+HCOO]- 236.97679 156.5
[M+CH3COO]- 250.99244 178.0
[M+Na-2H]- 212.95326 142.9
[M]+ 191.97804 154.1
[M]- 191.97914 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