CID 5709046

1-(4-fluorobenzoyl)-4-phenylbutadiene

Structural Information

Molecular Formula
C17H13FO
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H13FO/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-13H/b8-4+,9-5+
InChIKey
WRVMWLUMYZPQIR-KBXRYBNXSA-N
Compound name
(2E,4E)-1-(4-fluorophenyl)-5-phenylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.09505 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10233 160.1
[M+Na]+ 275.08427 174.2
[M+NH4]+ 270.12887 168.0
[M+K]+ 291.05821 164.9
[M-H]- 251.08777 163.2
[M+Na-2H]- 273.06972 168.8
[M]+ 252.09450 162.9
[M]- 252.09560 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.