CID 71075701

5-(3-chlorophenyl)-3-methoxypicolinonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

244.04034 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04762 152.4
[M+Na]+ 267.02956 165.0
[M-H]- 243.03306 156.8
[M+NH4]+ 262.07416 167.8
[M+K]+ 283.00350 158.3
[M+H-H2O]+ 227.03760 138.8
[M+HCOO]- 289.03854 168.0
[M+CH3COO]- 303.05419 164.0
[M+Na-2H]- 265.01501 157.7
[M]+ 244.03979 150.6
[M]- 244.04089 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

No literature data available for this compound.

Patent stripe

patents stripe