CID 306542

1-n,4-n-bis(3,4-dichlorophenyl)benzene-1,4-dicarboxamide

Structural Information

Molecular Formula
C20H12Cl4N2O2
SMILES
C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H12Cl4N2O2/c21-15-7-5-13(9-17(15)23)25-19(27)11-1-2-12(4-3-11)20(28)26-14-6-8-16(22)18(24)10-14/h1-10H,(H,25,27)(H,26,28)
InChIKey
JYJVCPCOMVVYIL-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.9653 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.97258 197.7
[M+Na]+ 474.95452 206.3
[M-H]- 450.95802 203.8
[M+NH4]+ 469.99912 207.5
[M+K]+ 490.92846 198.9
[M+H-H2O]+ 434.96256 191.4
[M+HCOO]- 496.96350 201.6
[M+CH3COO]- 510.97915 205.6
[M+Na-2H]- 472.93997 196.4
[M]+ 451.96475 201.5
[M]- 451.96585 201.5
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.