CID 13662977

Methyl 5-(bromomethyl)-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C11H9BrO3
SMILES
COC(=O)C1=CC2=C(O1)C=CC(=C2)CBr
InChI
InChI=1S/C11H9BrO3/c1-14-11(13)10-5-8-4-7(6-12)2-3-9(8)15-10/h2-5H,6H2,1H3
InChIKey
AWCPGVQAHZGMBK-UHFFFAOYSA-N
Compound name
methyl 5-(bromomethyl)-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

267.9735 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98078 149.2
[M+Na]+ 290.96272 153.3
[M+NH4]+ 286.00732 154.1
[M+K]+ 306.93666 154.9
[M-H]- 266.96622 150.6
[M+Na-2H]- 288.94817 151.7
[M]+ 267.97295 149.0
[M]- 267.97405 149.0
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