CID 620341

Methyl 5-bromo-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C10H7BrO3
SMILES
COC(=O)C1=CC2=C(O1)C=CC(=C2)Br
InChI
InChI=1S/C10H7BrO3/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3
InChIKey
ZZDBMDNRQQDSKG-UHFFFAOYSA-N
Compound name
methyl 5-bromo-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1128
Patents

253.95786 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96514 146.0
[M+Na]+ 276.94708 160.1
[M-H]- 252.95058 154.8
[M+NH4]+ 271.99168 168.7
[M+K]+ 292.92102 151.1
[M+H-H2O]+ 236.95512 146.9
[M+HCOO]- 298.95606 168.7
[M+CH3COO]- 312.97171 189.2
[M+Na-2H]- 274.93253 154.2
[M]+ 253.95731 169.8
[M]- 253.95841 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