CID 3011463

3-bromo-n-(4-nitro-2-pyridyl)benzamide

Structural Information

Molecular Formula
C12H8BrN3O3
SMILES
C1=CC(=CC(=C1)Br)C(=O)NC2=NC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H8BrN3O3/c13-9-3-1-2-8(6-9)12(17)15-11-7-10(16(18)19)4-5-14-11/h1-7H,(H,14,15,17)
InChIKey
ZEJMJRKSMVNCRB-UHFFFAOYSA-N
Compound name
3-bromo-N-(4-nitro-2-pyridinyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.9749 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.98218 160.0
[M+Na]+ 343.96412 169.1
[M-H]- 319.96762 168.0
[M+NH4]+ 339.00872 175.2
[M+K]+ 359.93806 153.9
[M+H-H2O]+ 303.97216 161.4
[M+HCOO]- 365.97310 182.4
[M+CH3COO]- 379.98875 197.8
[M+Na-2H]- 341.94957 168.9
[M]+ 320.97435 176.9
[M]- 320.97545 176.9
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.