CID 2388897

116476-54-1

Structural Information

Molecular Formula
C15H10Cl4N2O2
SMILES
C1=CC(=C(C=C1Cl)NC(=O)CC(=O)NC2=C(C=CC(=C2)Cl)Cl)Cl
InChI
InChI=1S/C15H10Cl4N2O2/c16-8-1-3-10(18)12(5-8)20-14(22)7-15(23)21-13-6-9(17)2-4-11(13)19/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKey
YSQOJZQREQNKQO-UHFFFAOYSA-N
Compound name
N,N'-bis(2,5-dichlorophenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

389.94965 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.956926 181.7
[M+Na]+ 412.938868 190.4
[M-H]- 388.942374 185.2
[M+NH4]+ 407.983473 194.1
[M+K]+ 428.912808 183.6
[M+H-H2O]+ 372.946910 177.3
[M+HCOO]- 434.947851 186.0
[M+CH3COO]- 448.963501 219.9
[M+Na-2H]- 410.924316 181.1
[M]+ 389.94910142 184.9
[M]- 389.95019858 184.9
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

patents stripe