CID 206240

43198-90-9

Structural Information

Molecular Formula
C13H12FNO3
SMILES
C#CCOCC1CN(C(=O)O1)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H12FNO3/c1-2-7-17-9-12-8-15(13(16)18-12)11-5-3-10(14)4-6-11/h1,3-6,12H,7-9H2
InChIKey
UPHPAXUKABDZGH-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.08012 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08740 148.0
[M+Na]+ 272.06934 158.6
[M-H]- 248.07284 150.2
[M+NH4]+ 267.11394 162.3
[M+K]+ 288.04328 154.4
[M+H-H2O]+ 232.07738 133.7
[M+HCOO]- 294.07832 162.7
[M+CH3COO]- 308.09397 199.0
[M+Na-2H]- 270.05479 149.8
[M]+ 249.07957 143.1
[M]- 249.08067 143.1
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.