CID 58316281

Methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate

Structural Information

Molecular Formula
C11H9BrO3
SMILES
CC1=CC2=C(C=CC(=C2O1)C(=O)OC)Br
InChI
InChI=1S/C11H9BrO3/c1-6-5-8-9(12)4-3-7(10(8)15-6)11(13)14-2/h3-5H,1-2H3
InChIKey
ZCHSBBNPCUFNLR-UHFFFAOYSA-N
Compound name
methyl 4-bromo-2-methyl-1-benzofuran-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

267.9735 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98078 148.7
[M+Na]+ 290.96272 153.1
[M+NH4]+ 286.00732 153.5
[M+K]+ 306.93666 154.9
[M-H]- 266.96622 150.1
[M+Na-2H]- 288.94817 150.9
[M]+ 267.97295 148.6
[M]- 267.97405 148.6
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

patents stripe