CID 305565

N,n'-bis(3,4-dichlorophenyl)butanediamide

Structural Information

Molecular Formula
C16H12Cl4N2O2
SMILES
C1=CC(=C(C=C1NC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C16H12Cl4N2O2/c17-11-3-1-9(7-13(11)19)21-15(23)5-6-16(24)22-10-2-4-12(18)14(20)8-10/h1-4,7-8H,5-6H2,(H,21,23)(H,22,24)
InChIKey
KOJUGKFYQKEOCU-UHFFFAOYSA-N
Compound name
N,N'-bis(3,4-dichlorophenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.9653 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.97258 186.0
[M+Na]+ 426.95452 194.2
[M-H]- 402.95802 189.3
[M+NH4]+ 421.99912 197.9
[M+K]+ 442.92846 187.3
[M+H-H2O]+ 386.96256 181.4
[M+HCOO]- 448.96350 190.0
[M+CH3COO]- 462.97915 222.6
[M+Na-2H]- 424.93997 184.9
[M]+ 403.96475 189.6
[M]- 403.96585 189.6
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.