CID 15675414

Ethyl 5-(bromomethyl)-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C12H11BrO3
SMILES
CCOC(=O)C1=CC2=C(O1)C=CC(=C2)CBr
InChI
InChI=1S/C12H11BrO3/c1-2-15-12(14)11-6-9-5-8(7-13)3-4-10(9)16-11/h3-6H,2,7H2,1H3
InChIKey
HZGYURXSRYVWIU-UHFFFAOYSA-N
Compound name
ethyl 5-(bromomethyl)-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

281.98917 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99645 155.8
[M+Na]+ 304.97839 169.0
[M-H]- 280.98189 164.2
[M+NH4]+ 300.02299 177.3
[M+K]+ 320.95233 159.5
[M+H-H2O]+ 264.98643 156.3
[M+HCOO]- 326.98737 177.8
[M+CH3COO]- 341.00302 194.8
[M+Na-2H]- 302.96384 162.8
[M]+ 281.98862 180.1
[M]- 281.98972 180.1
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