CID 12355506

20073-17-0

Structural Information

Molecular Formula
C9H7BrO2
SMILES
COC1=C(C=C2C=COC2=C1)Br
InChI
InChI=1S/C9H7BrO2/c1-11-9-5-8-6(2-3-12-8)4-7(9)10/h2-5H,1H3
InChIKey
NILNUVXOCDWGNU-UHFFFAOYSA-N
Compound name
5-bromo-6-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 138.9
[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

literature stripe

Patent stripe

patents stripe