CID 5709046

99646-84-1

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 156.7
[M+Na]+ 275.08427 163.8
[M-H]- 251.08777 161.7
[M+NH4]+ 270.12887 173.4
[M+K]+ 291.05821 157.9
[M+H-H2O]+ 235.09231 148.3
[M+HCOO]- 297.09325 178.9
[M+CH3COO]- 311.10890 193.9
[M+Na-2H]- 273.06972 160.6
[M]+ 252.09450 154.7
[M]- 252.09560 154.7
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.