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]+ 281.01718 157.6
[M+Na]+ 302.99912 170.9
[M-H]- 279.00262 166.2
[M+NH4]+ 298.04372 179.4
[M+K]+ 318.97306 161.1
[M+H-H2O]+ 263.00716 158.3
[M+HCOO]- 325.00810 178.0
[M+CH3COO]- 339.02375 198.3
[M+Na-2H]- 300.98457 162.2
[M]+ 280.00935 180.7
[M]- 280.01045 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.