CID 62717139

2-(2,6-dichlorophenyl)-1-(furan-2-yl)ethan-1-one

Structural Information

Molecular Formula
C12H8Cl2O2
SMILES
C1=CC(=C(C(=C1)Cl)CC(=O)C2=CC=CO2)Cl
InChI
InChI=1S/C12H8Cl2O2/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1-6H,7H2
InChIKey
LGLPQZHDJQETKO-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-1-(furan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99013 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.997406 152.6
[M+Na]+ 276.979348 163.1
[M-H]- 252.982854 159.8
[M+NH4]+ 272.023953 171.5
[M+K]+ 292.953288 158.4
[M+H-H2O]+ 236.987390 147.8
[M+HCOO]- 298.988331 167.3
[M+CH3COO]- 313.003981 190.6
[M+Na-2H]- 274.964796 156.0
[M]+ 253.98958142 157.9
[M]- 253.99067858 157.9
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.