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 152.5
[M+Na]+ 286.96780 164.0
[M-H]- 262.97130 162.6
[M+NH4]+ 282.01240 173.1
[M+K]+ 302.94174 154.3
[M+H-H2O]+ 246.97584 152.6
[M+HCOO]- 308.97678 174.6
[M+CH3COO]- 322.99243 191.0
[M+Na-2H]- 284.95325 158.7
[M]+ 263.97803 172.8
[M]- 263.97913 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.