CID 28740377

3-(3-amino-4-fluorophenyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C9H9FN2O2
SMILES
C1COC(=O)N1C2=CC(=C(C=C2)F)N
InChI
InChI=1S/C9H9FN2O2/c10-7-2-1-6(5-8(7)11)12-3-4-14-9(12)13/h1-2,5H,3-4,11H2
InChIKey
SHBBJNLITPWBKK-UHFFFAOYSA-N
Compound name
3-(3-amino-4-fluorophenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0648 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.072076 138.4
[M+Na]+ 219.054018 147.3
[M-H]- 195.057524 143.2
[M+NH4]+ 214.098623 156.5
[M+K]+ 235.027958 145.5
[M+H-H2O]+ 179.062060 130.7
[M+HCOO]- 241.063001 160.1
[M+CH3COO]- 255.078651 183.8
[M+Na-2H]- 217.039466 142.1
[M]+ 196.06425142 135.3
[M]- 196.06534858 135.3
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.