CID 3007421

108664-50-2

Structural Information

Molecular Formula
C15H10Cl3NO
SMILES
C=C(C1=C(C=C(C=C1)Cl)Cl)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H10Cl3NO/c1-9(13-7-4-11(17)8-14(13)18)15(20)19-12-5-2-10(16)3-6-12/h2-8H,1H2,(H,19,20)
InChIKey
DDXPMQBMIYDZHW-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.9828 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99008 168.0
[M+Na]+ 347.97202 177.3
[M-H]- 323.97552 173.0
[M+NH4]+ 343.01662 183.3
[M+K]+ 363.94596 169.6
[M+H-H2O]+ 307.98006 163.1
[M+HCOO]- 369.98100 176.6
[M+CH3COO]- 383.99665 207.7
[M+Na-2H]- 345.95747 169.0
[M]+ 324.98225 170.7
[M]- 324.98335 170.7
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

No patent data available for this compound.