CID 487739

2-hydroxy-5-nitro-n-(3-nitrophenyl)benzamide

Structural Information

Molecular Formula
C13H9N3O6
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H9N3O6/c17-12-5-4-10(16(21)22)7-11(12)13(18)14-8-2-1-3-9(6-8)15(19)20/h1-7,17H,(H,14,18)
InChIKey
ZZMYAIINGRSTGX-UHFFFAOYSA-N
Compound name
2-hydroxy-5-nitro-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

303.04913 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05641 162.5
[M+Na]+ 326.03835 166.6
[M-H]- 302.04185 167.9
[M+NH4]+ 321.08295 173.6
[M+K]+ 342.01229 155.9
[M+H-H2O]+ 286.04639 163.1
[M+HCOO]- 348.04733 187.1
[M+CH3COO]- 362.06298 191.4
[M+Na-2H]- 324.02380 170.3
[M]+ 303.04858 158.2
[M]- 303.04968 158.2
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.