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 192.3
[M+Na]+ 436.95815 198.3
[M-H]- 412.96165 198.0
[M+NH4]+ 432.00275 202.8
[M+K]+ 452.93209 189.4
[M+H-H2O]+ 396.96619 191.0
[M+HCOO]- 458.96713 205.4
[M+CH3COO]- 472.98278 220.9
[M+Na-2H]- 434.94360 194.5
[M]+ 413.96838 195.2
[M]- 413.96948 195.2
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.