CID 3011467

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

Structural Information

Molecular Formula
C12H8ClN3O3
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC2=NC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H8ClN3O3/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
RFXKDKXPLOXESP-UHFFFAOYSA-N
Compound name
3-chloro-N-(4-nitropyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 157.0
[M+Na]+ 300.01464 164.1
[M-H]- 276.01814 162.4
[M+NH4]+ 295.05924 170.9
[M+K]+ 315.98858 155.7
[M+H-H2O]+ 260.02268 153.9
[M+HCOO]- 322.02362 177.5
[M+CH3COO]- 336.03927 192.1
[M+Na-2H]- 298.00009 164.6
[M]+ 277.02487 156.9
[M]- 277.02597 156.9
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.