CID 3007388

104940-99-0

Structural Information

Molecular Formula
C14H9Cl2NO2
SMILES
C=C(C(=O)C1=C(C=C(C=C1)Cl)Cl)N2C=CC=CC2=O
InChI
InChI=1S/C14H9Cl2NO2/c1-9(17-7-3-2-4-13(17)18)14(19)11-6-5-10(15)8-12(11)16/h2-8H,1H2
InChIKey
ZVXNVOJHWNJWRY-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dichlorophenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.00104 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.00832 157.3
[M+Na]+ 315.99026 168.0
[M-H]- 291.99376 162.6
[M+NH4]+ 311.03486 172.8
[M+K]+ 331.96420 161.3
[M+H-H2O]+ 275.99830 150.9
[M+HCOO]- 337.99924 169.7
[M+CH3COO]- 352.01489 199.7
[M+Na-2H]- 313.97571 159.9
[M]+ 293.00049 161.1
[M]- 293.00159 161.1
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.