CID 3007403

2-propen-1-one, 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-

Structural Information

Molecular Formula
C15H9Cl2FO
SMILES
C=C(C1=C(C=C(C=C1)Cl)Cl)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H9Cl2FO/c1-9(13-7-4-11(16)8-14(13)17)15(19)10-2-5-12(18)6-3-10/h2-8H,1H2
InChIKey
XIPHLJFTBFXVBS-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.00143 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.00871 158.0
[M+Na]+ 316.99065 168.3
[M-H]- 292.99415 163.1
[M+NH4]+ 312.03525 174.8
[M+K]+ 332.96459 160.9
[M+H-H2O]+ 276.99869 151.8
[M+HCOO]- 338.99963 170.1
[M+CH3COO]- 353.01528 201.3
[M+Na-2H]- 314.97610 159.4
[M]+ 294.00088 160.1
[M]- 294.00198 160.1
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.