CID 979420

Methyl 6-bromo-5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C14H13BrO6
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)OC)C(=O)OC
InChI
InChI=1S/C14H13BrO6/c1-7-13(14(17)19-3)8-4-11(20-6-12(16)18-2)9(15)5-10(8)21-7/h4-5H,6H2,1-3H3
InChIKey
RNNPBJUDIDUVJK-UHFFFAOYSA-N
Compound name
methyl 6-bromo-5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.98956 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99684 169.9
[M+Na]+ 378.97878 183.0
[M-H]- 354.98228 178.6
[M+NH4]+ 374.02338 188.6
[M+K]+ 394.95272 175.0
[M+H-H2O]+ 338.98682 169.7
[M+HCOO]- 400.98776 190.7
[M+CH3COO]- 415.00341 208.2
[M+Na-2H]- 376.96423 173.9
[M]+ 355.98901 198.2
[M]- 355.99011 198.2
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.