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

47
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 138.9
[M+Na]+ 248.95216 153.6
[M-H]- 224.95566 147.8
[M+NH4]+ 243.99676 162.8
[M+K]+ 264.92610 144.5
[M+H-H2O]+ 208.96020 140.2
[M+HCOO]- 270.96114 162.5
[M+CH3COO]- 284.97679 185.1
[M+Na-2H]- 246.93761 148.8
[M]+ 225.96239 162.4
[M]- 225.96349 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