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

63
Patents

244.04034 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe