CID 54594333

1-(4-fluorophenyl)but-3-en-1-one

Structural Information

Molecular Formula
C10H9FO
SMILES
C=CCC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C10H9FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7H,1,3H2
InChIKey
PXMFXMMTOGHPDF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)but-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

164.06374 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07102 134.8
[M+Na]+ 187.05296 147.2
[M+NH4]+ 182.09756 142.8
[M+K]+ 203.02690 140.2
[M-H]- 163.05646 135.5
[M+Na-2H]- 185.03841 141.2
[M]+ 164.06319 136.6
[M]- 164.06429 136.6
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

patents stripe