CID 4213628

315237-28-6

Structural Information

Molecular Formula
C16H17BrO6
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(C)C(=O)OC)Br)C
InChI
InChI=1S/C16H17BrO6/c1-5-21-16(19)14-8(2)22-12-7-11(17)13(6-10(12)14)23-9(3)15(18)20-4/h6-7,9H,5H2,1-4H3
InChIKey
WKLLQYFEAGYJEJ-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-5-(1-methoxy-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 176.4
[M+Na]+ 407.01006 178.2
[M+NH4]+ 402.05466 178.4
[M+K]+ 422.98400 181.9
[M-H]- 383.01356 175.8
[M+Na-2H]- 404.99551 175.3
[M]+ 384.02029 175.1
[M]- 384.02139 175.1
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.