CID 457428

4-(3'-trifluoromethylbenzamido)-3-isoxazolidone

Structural Information

Molecular Formula
C11H9F3N2O3
SMILES
C1C(C(=O)NO1)NC(=O)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H9F3N2O3/c12-11(13,14)7-3-1-2-6(4-7)9(17)15-8-5-19-16-10(8)18/h1-4,8H,5H2,(H,15,17)(H,16,18)
InChIKey
RKZYKVHYGKBMGZ-UHFFFAOYSA-N
Compound name
N-(3-oxo-1,2-oxazolidin-4-yl)-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.05652 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06380 155.1
[M+Na]+ 297.04574 162.2
[M-H]- 273.04924 156.0
[M+NH4]+ 292.09034 169.1
[M+K]+ 313.01968 159.5
[M+H-H2O]+ 257.05378 145.8
[M+HCOO]- 319.05472 170.9
[M+CH3COO]- 333.07037 193.7
[M+Na-2H]- 295.03119 157.7
[M]+ 274.05597 148.6
[M]- 274.05707 148.6
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

No patent data available for this compound.