CID 11687473

3-chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
C1CN(C(=O)C(=C1)Cl)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9ClN2O3/c12-10-2-1-7-13(11(10)15)8-3-5-9(6-4-8)14(16)17/h2-6H,1,7H2
InChIKey
DOUAPYNOGMHPFD-UHFFFAOYSA-N
Compound name
5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

252.03017 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.037446 152.1
[M+Na]+ 275.019388 159.7
[M-H]- 251.022894 157.3
[M+NH4]+ 270.063993 167.6
[M+K]+ 290.993328 151.6
[M+H-H2O]+ 235.027430 149.6
[M+HCOO]- 297.028371 170.0
[M+CH3COO]- 311.044021 186.0
[M+Na-2H]- 273.004836 158.1
[M]+ 252.02962142 150.5
[M]- 252.03071858 150.5
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