CID 9662830

767291-03-2

Structural Information

Molecular Formula
C15H9Cl3N4O4
SMILES
C1=CC(=C(C=C1/C=N/NC(=O)C(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H9Cl3N4O4/c16-9-2-4-10(17)12(6-9)20-14(23)15(24)21-19-7-8-1-3-11(18)13(5-8)22(25)26/h1-7H,(H,20,23)(H,21,24)/b19-7+
InChIKey
SBSXOTNJUGMYOO-FBCYGCLPSA-N
Compound name
N'-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.96893 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.97621 187.7
[M+Na]+ 436.95815 200.9
[M+NH4]+ 432.00275 193.7
[M+K]+ 452.93209 195.9
[M-H]- 412.96165 192.6
[M+Na-2H]- 434.94360 194.0
[M]+ 413.96838 191.5
[M]- 413.96948 191.5
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.