CID 979384

308295-46-7

Structural Information

Molecular Formula
C16H17BrO5
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C(C)C)Br)C
InChI
InChI=1S/C16H17BrO5/c1-5-20-16(19)14-9(4)21-12-7-11(17)13(6-10(12)14)22-15(18)8(2)3/h6-8H,5H2,1-4H3
InChIKey
IATFDJNJBNHFRT-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-2-methyl-5-(2-methylpropanoyloxy)-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.02594 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03322 177.7
[M+Na]+ 391.01516 189.9
[M-H]- 367.01866 186.1
[M+NH4]+ 386.05976 195.9
[M+K]+ 406.98910 181.2
[M+H-H2O]+ 351.02320 177.5
[M+HCOO]- 413.02414 196.7
[M+CH3COO]- 427.03979 212.6
[M+Na-2H]- 389.00061 179.3
[M]+ 368.02539 204.6
[M]- 368.02649 204.6
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.