CID 979469

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

Structural Information

Molecular Formula
C16H11BrO6
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OC(=O)C3=CC=CO3)C(=O)OC
InChI
InChI=1S/C16H11BrO6/c1-8-14(16(19)20-2)9-6-13(10(17)7-12(9)22-8)23-15(18)11-4-3-5-21-11/h3-7H,1-2H3
InChIKey
QNGSKIDWYYTIAZ-UHFFFAOYSA-N
Compound name
methyl 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

377.9739 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.98118 179.6
[M+Na]+ 400.96312 192.9
[M-H]- 376.96662 192.4
[M+NH4]+ 396.00772 197.5
[M+K]+ 416.93706 186.0
[M+H-H2O]+ 360.97116 180.5
[M+HCOO]- 422.97210 201.0
[M+CH3COO]- 436.98775 210.4
[M+Na-2H]- 398.94857 182.5
[M]+ 377.97335 207.4
[M]- 377.97445 207.4
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.