CID 80147728

2-bromo-1-(5-methyl-1-benzofuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C11H9BrO2
SMILES
CC1=CC2=C(C=C1)OC(=C2)C(=O)CBr
InChI
InChI=1S/C11H9BrO2/c1-7-2-3-10-8(4-7)5-11(14-10)9(13)6-12/h2-5H,6H2,1H3
InChIKey
GOHMGDPGIPLEOX-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-methyl-1-benzofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.97859 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.985866 148.1
[M+Na]+ 274.967808 161.8
[M-H]- 250.971314 156.7
[M+NH4]+ 270.012413 170.8
[M+K]+ 290.941748 152.1
[M+H-H2O]+ 234.975850 149.0
[M+HCOO]- 296.976791 170.2
[M+CH3COO]- 310.992441 190.7
[M+Na-2H]- 272.953256 155.7
[M]+ 251.97804142 170.9
[M]- 251.97913858 170.9
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