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

26
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 150.2
[M+Na]+ 290.96272 164.6
[M-H]- 266.96622 159.2
[M+NH4]+ 286.00732 172.6
[M+K]+ 306.93666 155.4
[M+H-H2O]+ 250.97076 151.1
[M+HCOO]- 312.97170 172.5
[M+CH3COO]- 326.98735 193.2
[M+Na-2H]- 288.94817 157.2
[M]+ 267.97295 174.6
[M]- 267.97405 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