CID 211830

23598-53-0

Structural Information

Molecular Formula
C14H12F3NO3
SMILES
C#CCOCC1CN(C(=O)O1)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C14H12F3NO3/c1-2-7-20-9-10-8-18(13(19)21-10)12-6-4-3-5-11(12)14(15,16)17/h1,3-6,10H,7-9H2
InChIKey
DGKUYYCJMJSENE-UHFFFAOYSA-N
Compound name
5-(prop-2-ynoxymethyl)-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07693 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08421 157.7
[M+Na]+ 322.06615 168.1
[M-H]- 298.06965 157.5
[M+NH4]+ 317.11075 170.1
[M+K]+ 338.04009 163.7
[M+H-H2O]+ 282.07419 142.1
[M+HCOO]- 344.07513 168.8
[M+CH3COO]- 358.09078 206.4
[M+Na-2H]- 320.05160 158.7
[M]+ 299.07638 150.4
[M]- 299.07748 150.4
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.