CID 53467

Fluzinamide

Structural Information

Molecular Formula
C12H13F3N2O2
SMILES
CNC(=O)N1CC(C1)OC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C12H13F3N2O2/c1-16-11(18)17-6-10(7-17)19-9-4-2-3-8(5-9)12(13,14)15/h2-5,10H,6-7H2,1H3,(H,16,18)
InChIKey
YULWJRNIKFFGNU-UHFFFAOYSA-N
Compound name
N-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

284
Patents

274.09293 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10021 160.2
[M+Na]+ 297.08215 166.0
[M-H]- 273.08565 161.4
[M+NH4]+ 292.12675 168.3
[M+K]+ 313.05609 166.5
[M+H-H2O]+ 257.09019 144.7
[M+HCOO]- 319.09113 176.4
[M+CH3COO]- 333.10678 201.7
[M+Na-2H]- 295.06760 162.6
[M]+ 274.09238 164.6
[M]- 274.09348 164.6
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.