CID 318673

1-(2-nitrophenyl)imidazolidin-2-one

Structural Information

Molecular Formula
C9H9N3O3
SMILES
C1CN(C(=O)N1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O3/c13-9-10-5-6-11(9)7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,10,13)
InChIKey
YBRKPAGSKIHGOY-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

207.06439 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.071666 141.8
[M+Na]+ 230.053608 148.4
[M-H]- 206.057114 144.8
[M+NH4]+ 225.098213 157.9
[M+K]+ 246.027548 141.4
[M+H-H2O]+ 190.061650 138.7
[M+HCOO]- 252.062591 163.2
[M+CH3COO]- 266.078241 174.9
[M+Na-2H]- 228.039056 147.9
[M]+ 207.06384142 136.3
[M]- 207.06493858 136.3
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

patents stripe