CID 979470

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

Structural Information

Molecular Formula
C17H13BrO6
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C3=CC=CO3)Br)C
InChI
InChI=1S/C17H13BrO6/c1-3-21-17(20)15-9(2)23-13-8-11(18)14(7-10(13)15)24-16(19)12-5-4-6-22-12/h4-8H,3H2,1-2H3
InChIKey
VYVJIULWKPYMCT-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-5-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.98956 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.99684 184.5
[M+Na]+ 414.97878 197.3
[M-H]- 390.98228 197.1
[M+NH4]+ 410.02338 201.8
[M+K]+ 430.95272 190.2
[M+H-H2O]+ 374.98682 185.2
[M+HCOO]- 436.98776 205.5
[M+CH3COO]- 451.00341 213.1
[M+Na-2H]- 412.96423 186.9
[M]+ 391.98901 212.5
[M]- 391.99011 212.5
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.