CID 215935

Benzamide, n-(5-chloro-2-pyridinyl)-4-nitro-

Structural Information

Molecular Formula
C12H8ClN3O3
SMILES
C1=CC(=CC=C1C(=O)NC2=NC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H8ClN3O3/c13-9-3-6-11(14-7-9)15-12(17)8-1-4-10(5-2-8)16(18)19/h1-7H,(H,14,15,17)
InChIKey
MZJHBCRXWKBZRB-UHFFFAOYSA-N
Compound name
N-(5-chloropyridin-2-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.02542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.03270 155.8
[M+Na]+ 300.01464 170.9
[M+NH4]+ 295.05924 163.5
[M+K]+ 315.98858 166.6
[M-H]- 276.01814 161.0
[M+Na-2H]- 298.00009 164.8
[M]+ 277.02487 159.6
[M]- 277.02597 159.6
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

No patent data available for this compound.