CID 5388422

Nsc635957

Structural Information

Molecular Formula
C15H9Cl2FO
SMILES
C1=CC(=CC=C1C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl)F
InChI
InChI=1S/C15H9Cl2FO/c16-13-7-1-10(9-14(13)17)2-8-15(19)11-3-5-12(18)6-4-11/h1-9H/b8-2+
InChIKey
ZBJPOWYVNNEFRF-KRXBUXKQSA-N
Compound name
(E)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.00143 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.00871 159.2
[M+Na]+ 316.99065 169.9
[M-H]- 292.99415 164.2
[M+NH4]+ 312.03525 176.2
[M+K]+ 332.96459 162.0
[M+H-H2O]+ 276.99869 152.9
[M+HCOO]- 338.99963 172.2
[M+CH3COO]- 353.01528 199.8
[M+Na-2H]- 314.97610 161.7
[M]+ 294.00088 161.7
[M]- 294.00198 161.7
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

No patent data available for this compound.