CID 2388825

150612-59-2

Structural Information

Molecular Formula
C12H11BrO3
SMILES
CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C
InChI
InChI=1S/C12H11BrO3/c1-3-15-12(14)11-7(2)9-6-8(13)4-5-10(9)16-11/h4-6H,3H2,1-2H3
InChIKey
WJZILNCGMYSKQQ-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

281.98917 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99645 155.1
[M+Na]+ 304.97839 169.1
[M-H]- 280.98189 163.9
[M+NH4]+ 300.02299 176.9
[M+K]+ 320.95233 159.7
[M+H-H2O]+ 264.98643 155.8
[M+HCOO]- 326.98737 177.0
[M+CH3COO]- 341.00302 196.0
[M+Na-2H]- 302.96384 161.6
[M]+ 281.98862 179.8
[M]- 281.98972 179.8
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

No patent data available for this compound.