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
6
Annotation Hits

169
References

20052
Patents

329.10275 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11003 179.3
[M+Na]+ 352.09197 193.1
[M+NH4]+ 347.13657 185.1
[M+K]+ 368.06591 184.9
[M-H]- 328.09547 180.7
[M+Na-2H]- 350.07742 187.9
[M]+ 329.10220 181.7
[M]- 329.10330 181.7
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