CID 12423224

4-bromo-5-ethoxy-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula
C6H7BrO3
SMILES
CCOC1C(=CC(=O)O1)Br
InChI
InChI=1S/C6H7BrO3/c1-2-9-6-4(7)3-5(8)10-6/h3,6H,2H2,1H3
InChIKey
VPULYXZQTHMKTL-UHFFFAOYSA-N
Compound name
3-bromo-2-ethoxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

205.95786 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.96514 134.2
[M+Na]+ 228.94708 147.0
[M-H]- 204.95058 141.5
[M+NH4]+ 223.99168 157.5
[M+K]+ 244.92102 138.8
[M+H-H2O]+ 188.95512 135.2
[M+HCOO]- 250.95606 156.3
[M+CH3COO]- 264.97171 180.8
[M+Na-2H]- 226.93253 141.3
[M]+ 205.95731 155.5
[M]- 205.95841 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe