CID 2774902

2-(4-chlorophenoxy)nicotinamide

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC(=C(N=C1)OC2=CC=C(C=C2)Cl)C(=O)N
InChI
InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)17-12-10(11(14)16)2-1-7-15-12/h1-7H,(H2,14,16)
InChIKey
CBSIEDJQUZNDOY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

248.03525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 151.1
[M+Na]+ 271.02447 160.3
[M-H]- 247.02797 156.4
[M+NH4]+ 266.06907 167.2
[M+K]+ 286.99841 155.5
[M+H-H2O]+ 231.03251 143.8
[M+HCOO]- 293.03345 170.3
[M+CH3COO]- 307.04910 193.0
[M+Na-2H]- 269.00992 156.6
[M]+ 248.03470 152.8
[M]- 248.03580 152.8
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

patents stripe