CID 4330561

315237-12-8

Structural Information

Molecular Formula
C16H17BrO6
SMILES
CCOC(=O)C(C)OC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OC)Br
InChI
InChI=1S/C16H17BrO6/c1-5-21-15(18)9(3)23-13-6-10-12(7-11(13)17)22-8(2)14(10)16(19)20-4/h6-7,9H,5H2,1-4H3
InChIKey
FEOAKQBZTKOTKJ-UHFFFAOYSA-N
Compound name
methyl 6-bromo-5-(1-ethoxy-1-oxopropan-2-yl)oxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.02084 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.02812 179.8
[M+Na]+ 407.01006 191.7
[M-H]- 383.01356 188.2
[M+NH4]+ 402.05466 197.2
[M+K]+ 422.98400 183.7
[M+H-H2O]+ 367.01810 179.3
[M+HCOO]- 429.01904 198.9
[M+CH3COO]- 443.03469 214.6
[M+Na-2H]- 404.99551 181.6
[M]+ 384.02029 208.0
[M]- 384.02139 208.0
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

No patent data available for this compound.