CID 207130

29218-19-7

Structural Information

Molecular Formula
C11H10F3NO3
SMILES
C1C(OC(=O)N1C2=CC=CC(=C2)C(F)(F)F)CO
InChI
InChI=1S/C11H10F3NO3/c12-11(13,14)7-2-1-3-8(4-7)15-5-9(6-16)18-10(15)17/h1-4,9,16H,5-6H2
InChIKey
DOFPEWKUHZUFJE-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

261.06128 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06856 152.0
[M+Na]+ 284.05050 160.9
[M-H]- 260.05400 153.2
[M+NH4]+ 279.09510 167.3
[M+K]+ 300.02444 158.4
[M+H-H2O]+ 244.05854 143.3
[M+HCOO]- 306.05948 167.6
[M+CH3COO]- 320.07513 190.4
[M+Na-2H]- 282.03595 154.6
[M]+ 261.06073 148.0
[M]- 261.06183 148.0
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