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

9
Patents

207.06439 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 141.8
[M+Na]+ 230.05361 148.4
[M-H]- 206.05711 144.8
[M+NH4]+ 225.09821 157.9
[M+K]+ 246.02755 141.4
[M+H-H2O]+ 190.06165 138.7
[M+HCOO]- 252.06259 163.2
[M+CH3COO]- 266.07824 174.9
[M+Na-2H]- 228.03906 147.9
[M]+ 207.06384 136.3
[M]- 207.06494 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