CID 43079

Fluridone

Structural Information

Molecular Formula
C19H14F3NO
SMILES
CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3
InChIKey
YWBVHLJPRPCRSD-UHFFFAOYSA-N
Compound name
1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

169
References

23130
Patents

329.10275 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.110026 174.8
[M+Na]+ 352.091968 185.2
[M-H]- 328.095474 180.0
[M+NH4]+ 347.136573 187.4
[M+K]+ 368.065908 178.2
[M+H-H2O]+ 312.100010 162.7
[M+HCOO]- 374.100951 192.8
[M+CH3COO]- 388.116601 209.3
[M+Na-2H]- 350.077416 178.4
[M]+ 329.10220142 171.8
[M]- 329.10329858 171.8
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