CID 979472

Propan-2-yl 6-bromo-5-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C18H15BrO6
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OC(=O)C3=CC=CO3)C(=O)OC(C)C
InChI
InChI=1S/C18H15BrO6/c1-9(2)23-18(21)16-10(3)24-14-8-12(19)15(7-11(14)16)25-17(20)13-5-4-6-22-13/h4-9H,1-3H3
InChIKey
GDCOMRUSEZYIHH-UHFFFAOYSA-N
Compound name
propan-2-yl 6-bromo-5-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

406.0052 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.01248 189.7
[M+Na]+ 428.99442 201.8
[M-H]- 404.99792 202.2
[M+NH4]+ 424.03902 206.4
[M+K]+ 444.96836 194.9
[M+H-H2O]+ 389.00246 190.3
[M+HCOO]- 451.00340 209.4
[M+CH3COO]- 465.01905 216.7
[M+Na-2H]- 426.97987 190.5
[M]+ 406.00465 217.5
[M]- 406.00575 217.5
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.