CID 4127522

N,n'-bis(2,4-dichlorobenzylidene)ethylenediamine

Structural Information

Molecular Formula
C16H12Cl4N2
SMILES
C1=CC(=C(C=C1Cl)Cl)C=NCCN=CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H12Cl4N2/c17-13-3-1-11(15(19)7-13)9-21-5-6-22-10-12-2-4-14(18)8-16(12)20/h1-4,7-10H,5-6H2
InChIKey
LEQRXQOSITZTTI-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]ethyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.97546 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.98274 185.9
[M+Na]+ 394.96468 195.5
[M-H]- 370.96818 190.8
[M+NH4]+ 390.00928 200.1
[M+K]+ 410.93862 187.6
[M+H-H2O]+ 354.97272 179.7
[M+HCOO]- 416.97366 193.3
[M+CH3COO]- 430.98931 221.6
[M+Na-2H]- 392.95013 186.7
[M]+ 371.97491 190.6
[M]- 371.97601 190.6
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.