CID 58316250

4-bromo-7-methoxybenzofuran

Structural Information

Molecular Formula
C9H7BrO2
SMILES
COC1=C2C(=C(C=C1)Br)C=CO2
InChI
InChI=1S/C9H7BrO2/c1-11-8-3-2-7(10)6-4-5-12-9(6)8/h2-5H,1H3
InChIKey
TXCXPIXLGOKOTF-UHFFFAOYSA-N
Compound name
4-bromo-7-methoxy-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

225.96294 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97022 138.8
[M+Na]+ 248.95216 144.0
[M+NH4]+ 243.99676 144.8
[M+K]+ 264.92610 144.9
[M-H]- 224.95566 141.1
[M+Na-2H]- 246.93761 142.6
[M]+ 225.96239 139.2
[M]- 225.96349 139.2
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