CID 91755

Flurtamone

Structural Information

Molecular Formula
C18H14F3NO2
SMILES
CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3
InChIKey
NYRMIJKDBAQCHC-UHFFFAOYSA-N
Compound name
5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

18385
Patents

333.09766 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10494 181.1
[M+Na]+ 356.08688 191.6
[M+NH4]+ 351.13148 186.4
[M+K]+ 372.06082 186.6
[M-H]- 332.09038 183.2
[M+Na-2H]- 354.07233 186.6
[M]+ 333.09711 183.0
[M]- 333.09821 183.0
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