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]+ 232.057996 144.4
[M+Na]+ 254.039938 153.0
[M-H]- 230.043444 145.5
[M+NH4]+ 249.084543 160.8
[M+K]+ 270.013878 150.2
[M+H-H2O]+ 214.047980 135.8
[M+HCOO]- 276.048921 160.2
[M+CH3COO]- 290.064571 184.0
[M+Na-2H]- 252.025386 148.1
[M]+ 231.05017142 138.3
[M]- 231.05126858 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