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]+ 254.99741 152.6
[M+Na]+ 276.97935 163.1
[M-H]- 252.98285 159.8
[M+NH4]+ 272.02395 171.5
[M+K]+ 292.95329 158.4
[M+H-H2O]+ 236.98739 147.8
[M+HCOO]- 298.98833 167.3
[M+CH3COO]- 313.00398 190.6
[M+Na-2H]- 274.96480 156.0
[M]+ 253.98958 157.9
[M]- 253.99068 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.