CID 3049203

Brn 1176985

Structural Information

Molecular Formula
C18H16F3NO4
SMILES
C1C(OC(=O)N1C2=CC=C(C=C2)OCC3=CC(=CC=C3)C(F)(F)F)CO
InChI
InChI=1S/C18H16F3NO4/c19-18(20,21)13-3-1-2-12(8-13)11-25-15-6-4-14(5-7-15)22-9-16(10-23)26-17(22)24/h1-8,16,23H,9-11H2
InChIKey
HTYHKPOVCWJMEU-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.10315 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.110426 181.6
[M+Na]+ 390.092368 189.4
[M-H]- 366.095874 185.7
[M+NH4]+ 385.136973 192.2
[M+K]+ 406.066308 185.5
[M+H-H2O]+ 350.100410 170.8
[M+HCOO]- 412.101351 196.2
[M+CH3COO]- 426.117001 210.7
[M+Na-2H]- 388.077816 182.0
[M]+ 367.10260142 179.4
[M]- 367.10369858 179.4
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

No patent data available for this compound.