CID 979431

Ethyl 6-bromo-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C17H13BrO4
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)Br)C3=CC=CC=C3
InChI
InChI=1S/C17H13BrO4/c1-2-21-17(20)15-11-8-13(19)12(18)9-14(11)22-16(15)10-6-4-3-5-7-10/h3-9,19H,2H2,1H3
InChIKey
LZAQEGWNAMGRAA-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

359.99973 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.00701 176.4
[M+Na]+ 382.98895 189.2
[M-H]- 358.99245 186.9
[M+NH4]+ 378.03355 194.1
[M+K]+ 398.96289 179.0
[M+H-H2O]+ 342.99699 176.0
[M+HCOO]- 404.99793 196.6
[M+CH3COO]- 419.01358 207.0
[M+Na-2H]- 380.97440 181.0
[M]+ 359.99918 200.3
[M]- 360.00028 200.3
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

No patent data available for this compound.