CID 345282

Ethyl 5-bromofuran-2-carboxylate

Structural Information

Molecular Formula
C7H7BrO3
SMILES
CCOC(=O)C1=CC=C(O1)Br
InChI
InChI=1S/C7H7BrO3/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3
InChIKey
GVAPLPBPJARJEY-UHFFFAOYSA-N
Compound name
ethyl 5-bromofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

344
Patents

217.95786 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.965136 138.6
[M+Na]+ 240.947078 150.9
[M-H]- 216.950584 145.9
[M+NH4]+ 235.991683 161.3
[M+K]+ 256.921018 142.7
[M+H-H2O]+ 200.955120 139.3
[M+HCOO]- 262.956061 160.9
[M+CH3COO]- 276.971711 182.4
[M+Na-2H]- 238.932526 145.4
[M]+ 217.95731142 160.5
[M]- 217.95840858 160.5
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