CID 63947744

2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)ethan-1-one

Structural Information

Molecular Formula
C12H8ClFO2
SMILES
C1=CC(=C(C=C1F)Cl)CC(=O)C2=COC=C2
InChI
InChI=1S/C12H8ClFO2/c13-11-6-10(14)2-1-8(11)5-12(15)9-3-4-16-7-9/h1-4,6-7H,5H2
InChIKey
ZVBSUVOIDLZNDZ-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.01968 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.026956 147.6
[M+Na]+ 261.008898 157.9
[M-H]- 237.012404 154.2
[M+NH4]+ 256.053503 166.7
[M+K]+ 276.982838 154.1
[M+H-H2O]+ 221.016940 141.4
[M+HCOO]- 283.017881 166.5
[M+CH3COO]- 297.033531 188.7
[M+Na-2H]- 258.994346 151.4
[M]+ 238.01913142 150.8
[M]- 238.02022858 150.8
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.