CID 12264721

57547-15-6

Structural Information

Molecular Formula
C9H7BrO
SMILES
CC1=CC2=C(O1)C(=CC=C2)Br
InChI
InChI=1S/C9H7BrO/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5H,1H3
InChIKey
RLVGRFODLCTVTN-UHFFFAOYSA-N
Compound name
7-bromo-2-methyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

105
Patents

209.96803 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97531 136.0
[M+Na]+ 232.95725 150.8
[M-H]- 208.96075 144.9
[M+NH4]+ 228.00185 160.7
[M+K]+ 248.93119 141.3
[M+H-H2O]+ 192.96529 137.5
[M+HCOO]- 254.96623 159.5
[M+CH3COO]- 268.98188 153.6
[M+Na-2H]- 230.94270 146.0
[M]+ 209.96748 158.1
[M]- 209.96858 158.1
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