CID 190294

29555-25-7

Structural Information

Molecular Formula
C15H9BrO2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H9BrO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9H
InChIKey
SBSLXDAOHXKKNK-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

299.97858 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.985856 161.4
[M+Na]+ 322.967798 174.4
[M-H]- 298.971304 172.9
[M+NH4]+ 318.012403 181.8
[M+K]+ 338.941738 164.1
[M+H-H2O]+ 282.975840 161.5
[M+HCOO]- 344.976781 183.6
[M+CH3COO]- 358.992431 177.0
[M+Na-2H]- 320.953246 168.7
[M]+ 299.97803142 183.1
[M]- 299.97912858 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe