CID 131439420

Methyl 3-bromobenzofuran-6-carboxylate

Structural Information

Molecular Formula
C10H7BrO3
SMILES
COC(=O)C1=CC2=C(C=C1)C(=CO2)Br
InChI
InChI=1S/C10H7BrO3/c1-13-10(12)6-2-3-7-8(11)5-14-9(7)4-6/h2-5H,1H3
InChIKey
PMSIOCQCMWWWNT-UHFFFAOYSA-N
Compound name
methyl 3-bromo-1-benzofuran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

253.95786 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.965136 146.0
[M+Na]+ 276.947078 160.1
[M-H]- 252.950584 154.8
[M+NH4]+ 271.991683 168.7
[M+K]+ 292.921018 151.1
[M+H-H2O]+ 236.955120 146.9
[M+HCOO]- 298.956061 168.7
[M+CH3COO]- 312.971711 189.2
[M+Na-2H]- 274.932526 154.2
[M]+ 253.95731142 169.8
[M]- 253.95840858 169.8
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