CID 46738833

Ethyl 7-bromobenzofuran-2-carboxylate

Structural Information

Molecular Formula
C11H9BrO3
SMILES
CCOC(=O)C1=CC2=C(O1)C(=CC=C2)Br
InChI
InChI=1S/C11H9BrO3/c1-2-14-11(13)9-6-7-4-3-5-8(12)10(7)15-9/h3-6H,2H2,1H3
InChIKey
PHNYOGFMKPEKDS-UHFFFAOYSA-N
Compound name
ethyl 7-bromo-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

267.9735 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.980776 150.9
[M+Na]+ 290.962718 164.5
[M-H]- 266.966224 159.5
[M+NH4]+ 286.007323 173.0
[M+K]+ 306.936658 155.3
[M+H-H2O]+ 250.970760 151.6
[M+HCOO]- 312.971701 173.2
[M+CH3COO]- 326.987351 192.0
[M+Na-2H]- 288.948166 158.5
[M]+ 267.97295142 175.0
[M]- 267.97404858 175.0
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