CID 124127223

1427368-03-3

Structural Information

Molecular Formula
C9H7BrO
SMILES
CC1=C(C2=C(C=C1)C=CO2)Br
InChI
InChI=1S/C9H7BrO/c1-6-2-3-7-4-5-11-9(7)8(6)10/h2-5H,1H3
InChIKey
NYPDKDDGBLICHN-UHFFFAOYSA-N
Compound name
7-bromo-6-methyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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

No literature data available for this compound.

Patent stripe

patents stripe