CID 73896

1,3-bis(4-fluorophenyl)propane-1,3-dione

Structural Information

Molecular Formula
C15H10F2O2
SMILES
C1=CC(=CC=C1C(=O)CC(=O)C2=CC=C(C=C2)F)F
InChI
InChI=1S/C15H10F2O2/c16-12-5-1-10(2-6-12)14(18)9-15(19)11-3-7-13(17)8-4-11/h1-8H,9H2
InChIKey
MMDLTXGEZNHAOV-UHFFFAOYSA-N
Compound name
1,3-bis(4-fluorophenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

260.06488 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07216 159.2
[M+Na]+ 283.05410 171.7
[M+NH4]+ 278.09870 165.9
[M+K]+ 299.02804 164.8
[M-H]- 259.05760 160.2
[M+Na-2H]- 281.03955 166.3
[M]+ 260.06433 161.1
[M]- 260.06543 161.1
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