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

1
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

patents stripe