CID 61054673

2-(2-chloro-6-fluorophenyl)-1-(furan-3-yl)ethan-1-one

Structural Information

Molecular Formula
C12H8ClFO2
SMILES
C1=CC(=C(C(=C1)Cl)CC(=O)C2=COC=C2)F
InChI
InChI=1S/C12H8ClFO2/c13-10-2-1-3-11(14)9(10)6-12(15)8-4-5-16-7-8/h1-5,7H,6H2
InChIKey
IUWBCDNSJSRAFL-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-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]+ 239.02696 148.6
[M+Na]+ 261.00890 162.6
[M+NH4]+ 256.05350 157.0
[M+K]+ 276.98284 157.2
[M-H]- 237.01240 152.2
[M+Na-2H]- 258.99435 155.8
[M]+ 238.01913 151.9
[M]- 238.02023 151.9
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.