CID 853741

Methyl 6-bromo-5-methoxy-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C12H11BrO4
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OC)C(=O)OC
InChI
InChI=1S/C12H11BrO4/c1-6-11(12(14)16-3)7-4-10(15-2)8(13)5-9(7)17-6/h4-5H,1-3H3
InChIKey
CQRWHPRDSBHNKV-UHFFFAOYSA-N
Compound name
methyl 6-bromo-5-methoxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.98407 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99135 156.2
[M+Na]+ 320.97329 160.3
[M+NH4]+ 316.01789 160.4
[M+K]+ 336.94723 162.5
[M-H]- 296.97679 157.2
[M+Na-2H]- 318.95874 157.6
[M]+ 297.98352 155.9
[M]- 297.98462 155.9
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