CID 979379

308295-35-4

Structural Information

Molecular Formula
C15H15BrO5
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OC(=O)C)C(=O)OC(C)C
InChI
InChI=1S/C15H15BrO5/c1-7(2)19-15(18)14-8(3)20-12-6-11(16)13(5-10(12)14)21-9(4)17/h5-7H,1-4H3
InChIKey
IZMLSNBWVXZXLD-UHFFFAOYSA-N
Compound name
propan-2-yl 5-acetyloxy-6-bromo-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.01028 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.01756 172.8
[M+Na]+ 376.99950 185.5
[M-H]- 353.00300 181.4
[M+NH4]+ 372.04410 191.5
[M+K]+ 392.97344 177.0
[M+H-H2O]+ 337.00754 172.8
[M+HCOO]- 399.00848 192.1
[M+CH3COO]- 413.02413 209.8
[M+Na-2H]- 374.98495 175.0
[M]+ 354.00973 199.4
[M]- 354.01083 199.4
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.