CID 67315

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

Structural Information

Molecular Formula
C13H9N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O5/c17-13(9-4-6-11(7-5-9)15(18)19)14-10-2-1-3-12(8-10)16(20)21/h1-8H,(H,14,17)
InChIKey
LZBOEAUDEFYCDQ-UHFFFAOYSA-N
Compound name
4-nitro-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

287.05423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06151 163.4
[M+Na]+ 310.04345 176.8
[M+NH4]+ 305.08805 170.0
[M+K]+ 326.01739 176.1
[M-H]- 286.04695 169.6
[M+Na-2H]- 308.02890 170.7
[M]+ 287.05368 166.7
[M]- 287.05478 166.7
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