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

23
Patents

267.9735 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.980776 150.2
[M+Na]+ 290.962718 164.6
[M-H]- 266.966224 159.2
[M+NH4]+ 286.007323 172.6
[M+K]+ 306.936658 155.4
[M+H-H2O]+ 250.970760 151.1
[M+HCOO]- 312.971701 172.5
[M+CH3COO]- 326.987351 193.2
[M+Na-2H]- 288.948166 157.2
[M]+ 267.97295142 174.6
[M]- 267.97404858 174.6
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