CID 39870481

3-(3-nitrophenyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C9H8N2O4
SMILES
C1COC(=O)N1C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O4/c12-9-10(4-5-15-9)7-2-1-3-8(6-7)11(13)14/h1-3,6H,4-5H2
InChIKey
DIAJMQOAAXLQTP-UHFFFAOYSA-N
Compound name
3-(3-nitrophenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

208.0484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.055676 140.9
[M+Na]+ 231.037618 148.0
[M-H]- 207.041124 147.3
[M+NH4]+ 226.082223 157.7
[M+K]+ 247.011558 143.4
[M+H-H2O]+ 191.045660 138.5
[M+HCOO]- 253.046601 164.3
[M+CH3COO]- 267.062251 177.1
[M+Na-2H]- 229.023066 148.2
[M]+ 208.04785142 138.8
[M]- 208.04894858 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe