CID 2768878

2-chloro-6-(4-methoxyphenyl)nicotinonitrile

Structural Information

Molecular Formula
C13H9ClN2O
SMILES
COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)Cl
InChI
InChI=1S/C13H9ClN2O/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-15)13(14)16-12/h2-7H,1H3
InChIKey
PELDIRQBLYTDBQ-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-methoxyphenyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

244.04034 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.047616 152.4
[M+Na]+ 267.029558 165.0
[M-H]- 243.033064 156.8
[M+NH4]+ 262.074163 167.8
[M+K]+ 283.003498 158.3
[M+H-H2O]+ 227.037600 138.8
[M+HCOO]- 289.038541 168.0
[M+CH3COO]- 303.054191 164.0
[M+Na-2H]- 265.015006 157.7
[M]+ 244.03979142 150.6
[M]- 244.04088858 150.6
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