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]+ 264.985856 152.5
[M+Na]+ 286.967798 164.0
[M-H]- 262.971304 162.6
[M+NH4]+ 282.012403 173.1
[M+K]+ 302.941738 154.3
[M+H-H2O]+ 246.975840 152.6
[M+HCOO]- 308.976781 174.6
[M+CH3COO]- 322.992431 191.0
[M+Na-2H]- 284.953246 158.7
[M]+ 263.97803142 172.8
[M]- 263.97912858 172.8
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.