CID 3074785

161692-89-3

Structural Information

Molecular Formula
C19H18F2O3
SMILES
CCOC(=O)C(C)CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C19H18F2O3/c1-3-24-19(23)12(2)10-18(22)14-6-4-13(5-7-14)16-9-8-15(20)11-17(16)21/h4-9,11-12H,3,10H2,1-2H3
InChIKey
YZVMMWAGDJXLKK-UHFFFAOYSA-N
Compound name
ethyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1224 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12968 175.6
[M+Na]+ 355.11162 182.5
[M-H]- 331.11512 179.6
[M+NH4]+ 350.15622 189.2
[M+K]+ 371.08556 178.7
[M+H-H2O]+ 315.11966 165.8
[M+HCOO]- 377.12060 194.1
[M+CH3COO]- 391.13625 212.2
[M+Na-2H]- 353.09707 174.0
[M]+ 332.12185 176.3
[M]- 332.12295 176.3
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.