CID 3049196

3-(4-fluorophenyl)-5-((((methylamino)carbonyl)oxy)methyl)-2-oxazolidinone

Structural Information

Molecular Formula
C12H13FN2O4
SMILES
CNC(=O)OCC1CN(C(=O)O1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FN2O4/c1-14-11(16)18-7-10-6-15(12(17)19-10)9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3,(H,14,16)
InChIKey
ZYKDVHTWPGAPJR-UHFFFAOYSA-N
Compound name
[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08594 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09322 157.0
[M+Na]+ 291.07516 164.4
[M-H]- 267.07866 162.0
[M+NH4]+ 286.11976 172.2
[M+K]+ 307.04910 163.3
[M+H-H2O]+ 251.08320 148.6
[M+HCOO]- 313.08414 177.9
[M+CH3COO]- 327.09979 196.7
[M+Na-2H]- 289.06061 159.1
[M]+ 268.08539 157.3
[M]- 268.08649 157.3
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.