CID 11687473

536760-29-9

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

29
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 149.6
[M+Na]+ 275.01939 165.1
[M+NH4]+ 270.06399 158.0
[M+K]+ 290.99333 160.4
[M-H]- 251.02289 154.5
[M+Na-2H]- 273.00484 157.6
[M]+ 252.02962 153.4
[M]- 252.03072 153.4
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