CID 3111287

2-chloro-4-nitro-n-(3-nitrophenyl)benzamide

Structural Information

Molecular Formula
C13H8ClN3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H8ClN3O5/c14-12-7-10(17(21)22)4-5-11(12)13(18)15-8-2-1-3-9(6-8)16(19)20/h1-7H,(H,15,18)
InChIKey
JJQYADUMZGPKJC-UHFFFAOYSA-N
Compound name
2-chloro-4-nitro-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.01526 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.02254 169.4
[M+Na]+ 344.00448 183.9
[M+NH4]+ 339.04908 176.2
[M+K]+ 359.97842 182.5
[M-H]- 320.00798 175.6
[M+Na-2H]- 341.98993 176.5
[M]+ 321.01471 173.2
[M]- 321.01581 173.2
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

No patent data available for this compound.