CID 66861

Benzamide, 3-nitro-n-(3-nitrophenyl)-

Structural Information

Molecular Formula
C13H9N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O5/c17-13(9-3-1-5-11(7-9)15(18)19)14-10-4-2-6-12(8-10)16(20)21/h1-8H,(H,14,17)
InChIKey
IGYJMXLXTJJVRS-UHFFFAOYSA-N
Compound name
3-nitro-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

287.05423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06151 160.8
[M+Na]+ 310.04345 164.7
[M-H]- 286.04695 167.2
[M+NH4]+ 305.08805 173.0
[M+K]+ 326.01739 154.3
[M+H-H2O]+ 270.05149 161.2
[M+HCOO]- 332.05243 186.7
[M+CH3COO]- 346.06808 190.9
[M+Na-2H]- 308.02890 169.1
[M]+ 287.05368 156.6
[M]- 287.05478 156.6
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

patents stripe