CID 3066685

Acetamide, n-(6-chloro-5-nitro-2-pyridyl)-

Structural Information

Molecular Formula
C7H6ClN3O3
SMILES
CC(=O)NC1=NC(=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H6ClN3O3/c1-4(12)9-6-3-2-5(11(13)14)7(8)10-6/h2-3H,1H3,(H,9,10,12)
InChIKey
KKTGQJSKUMYTQA-UHFFFAOYSA-N
Compound name
N-(6-chloro-5-nitropyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00977 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01705 139.8
[M+Na]+ 237.99899 148.2
[M-H]- 214.00249 142.5
[M+NH4]+ 233.04359 156.9
[M+K]+ 253.97293 141.5
[M+H-H2O]+ 198.00703 138.8
[M+HCOO]- 260.00797 160.7
[M+CH3COO]- 274.02362 181.1
[M+Na-2H]- 235.98444 147.4
[M]+ 215.00922 140.2
[M]- 215.01032 140.2
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.