CID 59287351

5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C10H8F3NO2
SMILES
C1C(OC(=O)N1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8-5-14-9(15)16-8/h1-4,8H,5H2,(H,14,15)
InChIKey
ZWGMNGIRYITIQN-UHFFFAOYSA-N
Compound name
5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

231.05072 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05800 144.4
[M+Na]+ 254.03994 153.0
[M-H]- 230.04344 145.5
[M+NH4]+ 249.08454 160.8
[M+K]+ 270.01388 150.2
[M+H-H2O]+ 214.04798 135.8
[M+HCOO]- 276.04892 160.2
[M+CH3COO]- 290.06457 184.0
[M+Na-2H]- 252.02539 148.1
[M]+ 231.05017 138.3
[M]- 231.05127 138.3
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

patents stripe