CID 145913452

Ethyl 3-(3-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylate

Structural Information

Molecular Formula
C13H14FNO4
SMILES
CCOC(=O)C1(CN(C(=O)O1)C2=CC(=CC=C2)F)C
InChI
InChI=1S/C13H14FNO4/c1-3-18-11(16)13(2)8-15(12(17)19-13)10-6-4-5-9(14)7-10/h4-7H,3,8H2,1-2H3
InChIKey
UDLXVCKELGQEBR-UHFFFAOYSA-N
Compound name
ethyl 3-(3-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0907 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09798 155.1
[M+Na]+ 290.07992 164.0
[M-H]- 266.08342 160.4
[M+NH4]+ 285.12452 172.9
[M+K]+ 306.05386 163.2
[M+H-H2O]+ 250.08796 148.0
[M+HCOO]- 312.08890 174.8
[M+CH3COO]- 326.10455 194.8
[M+Na-2H]- 288.06537 157.8
[M]+ 267.09015 157.1
[M]- 267.09125 157.1
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.