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]+ 252.98587 148.1
[M+Na]+ 274.96781 161.8
[M-H]- 250.97131 156.7
[M+NH4]+ 270.01241 170.8
[M+K]+ 290.94175 152.1
[M+H-H2O]+ 234.97585 149.0
[M+HCOO]- 296.97679 170.2
[M+CH3COO]- 310.99244 190.7
[M+Na-2H]- 272.95326 155.7
[M]+ 251.97804 170.9
[M]- 251.97914 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