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
6
Annotation Hits

2
References

22019
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 173.9
[M+Na]+ 356.08688 182.9
[M-H]- 332.09038 181.2
[M+NH4]+ 351.13148 188.0
[M+K]+ 372.06082 178.4
[M+H-H2O]+ 316.09492 163.8
[M+HCOO]- 378.09586 193.6
[M+CH3COO]- 392.11151 210.9
[M+Na-2H]- 354.07233 176.0
[M]+ 333.09711 171.1
[M]- 333.09821 171.1
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.