CID 23583229

875444-08-9

Structural Information

Molecular Formula
C12H9F6NO2
SMILES
C[C@H]1[C@H](OC(=O)N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C12H9F6NO2/c1-5-9(21-10(20)19-5)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-5,9H,1H3,(H,19,20)/t5-,9-/m0/s1
InChIKey
OHIDCVTXTYVGRO-CDUCUWFYSA-N
Compound name
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

313.05374 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06102 182.5
[M+Na]+ 336.04296 186.7
[M+NH4]+ 331.08756 183.6
[M+K]+ 352.01690 184.3
[M-H]- 312.04646 176.4
[M+Na-2H]- 334.02841 181.1
[M]+ 313.05319 180.9
[M]- 313.05429 180.9
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