CID 979597

308295-57-0

Structural Information

Molecular Formula
C19H15BrO5
SMILES
CC1=CC=CC=C1C(=O)OC2=C(C=C3C(=C2)C(=C(O3)C)C(=O)OC)Br
InChI
InChI=1S/C19H15BrO5/c1-10-6-4-5-7-12(10)18(21)25-16-8-13-15(9-14(16)20)24-11(2)17(13)19(22)23-3/h4-9H,1-3H3
InChIKey
JEWRGNZBFGLVQH-UHFFFAOYSA-N
Compound name
methyl 6-bromo-2-methyl-5-(2-methylbenzoyl)oxy-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.01028 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.01756 186.2
[M+Na]+ 424.99950 199.1
[M-H]- 401.00300 198.0
[M+NH4]+ 420.04410 202.9
[M+K]+ 440.97344 190.0
[M+H-H2O]+ 385.00754 185.3
[M+HCOO]- 447.00848 206.4
[M+CH3COO]- 461.02413 217.5
[M+Na-2H]- 422.98495 188.6
[M]+ 402.00973 212.7
[M]- 402.01083 212.7
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.