CID 853743

Ethyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C14H15BrO4
SMILES
CCOC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OCC)Br
InChI
InChI=1S/C14H15BrO4/c1-4-17-12-6-9-11(7-10(12)15)19-8(3)13(9)14(16)18-5-2/h6-7H,4-5H2,1-3H3
InChIKey
BQRIGORSAPQEGM-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.01538 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02266 166.6
[M+Na]+ 349.00460 180.3
[M-H]- 325.00810 175.3
[M+NH4]+ 344.04920 186.8
[M+K]+ 364.97854 171.0
[M+H-H2O]+ 309.01264 166.7
[M+HCOO]- 371.01358 187.9
[M+CH3COO]- 385.02923 204.6
[M+Na-2H]- 346.99005 171.4
[M]+ 326.01483 193.6
[M]- 326.01593 193.6
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.