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]+ 239.02696 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.

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No literature data available for this compound.

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No patent data available for this compound.