CID 62717300

2-(2-bromophenyl)-1-(furan-2-yl)ethan-1-one

Structural Information

Molecular Formula
C12H9BrO2
SMILES
C1=CC=C(C(=C1)CC(=O)C2=CC=CO2)Br
InChI
InChI=1S/C12H9BrO2/c13-10-5-2-1-4-9(10)8-11(14)12-6-3-7-15-12/h1-7H,8H2
InChIKey
ZOFAVZCGAWIQLL-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-1-(furan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.97858 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98586 150.9
[M+Na]+ 286.96780 154.9
[M+NH4]+ 282.01240 156.0
[M+K]+ 302.94174 156.0
[M-H]- 262.97130 153.9
[M+Na-2H]- 284.95325 155.3
[M]+ 263.97803 151.2
[M]- 263.97913 151.2
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.