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

31
Patents

252.03017 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03745 152.1
[M+Na]+ 275.01939 159.7
[M-H]- 251.02289 157.3
[M+NH4]+ 270.06399 167.6
[M+K]+ 290.99333 151.6
[M+H-H2O]+ 235.02743 149.6
[M+HCOO]- 297.02837 170.0
[M+CH3COO]- 311.04402 186.0
[M+Na-2H]- 273.00484 158.1
[M]+ 252.02962 150.5
[M]- 252.03072 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