CID 65428415

1-(5-bromo-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C13H13BrO2
SMILES
CC1=CC(=CC2=C1OC(=C2)C(=O)C(C)C)Br
InChI
InChI=1S/C13H13BrO2/c1-7(2)12(15)11-6-9-5-10(14)4-8(3)13(9)16-11/h4-7H,1-3H3
InChIKey
NUTWBRCDCLZAAF-UHFFFAOYSA-N
Compound name
1-(5-bromo-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0099 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.017176 157.6
[M+Na]+ 302.999118 170.9
[M-H]- 279.002624 166.2
[M+NH4]+ 298.043723 179.4
[M+K]+ 318.973058 161.1
[M+H-H2O]+ 263.007160 158.3
[M+HCOO]- 325.008101 178.0
[M+CH3COO]- 339.023751 198.3
[M+Na-2H]- 300.984566 162.2
[M]+ 280.00935142 180.7
[M]- 280.01044858 180.7
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

No patent data available for this compound.