CID 3007393

108664-28-4

Structural Information

Molecular Formula
C14H10ClNO3
SMILES
C=C(C(=O)C1=CC=C(C=C1)Cl)N2CC(=O)C=CC2=O
InChI
InChI=1S/C14H10ClNO3/c1-9(16-8-12(17)6-7-13(16)18)14(19)10-2-4-11(15)5-3-10/h2-7H,1,8H2
InChIKey
NGUGNQUIXGZKPR-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.0349 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04218 156.1
[M+Na]+ 298.02412 164.7
[M-H]- 274.02762 161.5
[M+NH4]+ 293.06872 171.5
[M+K]+ 313.99806 159.6
[M+H-H2O]+ 258.03216 149.2
[M+HCOO]- 320.03310 171.2
[M+CH3COO]- 334.04875 197.2
[M+Na-2H]- 296.00957 157.6
[M]+ 275.03435 156.6
[M]- 275.03545 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.