CID 511932

6-(4-benzoyl-phenoxy)-3-chloro-pyridine-2-carbonitrile

Structural Information

Molecular Formula
C19H11ClN2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=NC(=C(C=C3)Cl)C#N
InChI
InChI=1S/C19H11ClN2O2/c20-16-10-11-18(22-17(16)12-21)24-15-8-6-14(7-9-15)19(23)13-4-2-1-3-5-13/h1-11H
InChIKey
YTNRFHFGAWZDHS-UHFFFAOYSA-N
Compound name
6-(4-benzoylphenoxy)-3-chloropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.0509 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05818 180.0
[M+Na]+ 357.04012 191.4
[M-H]- 333.04362 186.0
[M+NH4]+ 352.08472 191.0
[M+K]+ 373.01406 182.5
[M+H-H2O]+ 317.04816 164.2
[M+HCOO]- 379.04910 194.0
[M+CH3COO]- 393.06475 189.3
[M+Na-2H]- 355.02557 182.8
[M]+ 334.05035 177.5
[M]- 334.05145 177.5
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.