CID 58316250

1258960-00-7

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]+ 226.970216 138.9
[M+Na]+ 248.952158 153.6
[M-H]- 224.955664 147.8
[M+NH4]+ 243.996763 162.8
[M+K]+ 264.926098 144.5
[M+H-H2O]+ 208.960200 140.2
[M+HCOO]- 270.961141 162.5
[M+CH3COO]- 284.976791 185.1
[M+Na-2H]- 246.937606 148.8
[M]+ 225.96239142 162.4
[M]- 225.96348858 162.4
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