CID 2773734

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

Structural Information

Molecular Formula
C12H6ClFN2
SMILES
C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)Cl)F
InChI
InChI=1S/C12H6ClFN2/c13-12-9(7-15)3-6-11(16-12)8-1-4-10(14)5-2-8/h1-6H
InChIKey
VJYNNRPTVYPCCS-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

232.02036 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02764 146.6
[M+Na]+ 255.00958 159.6
[M-H]- 231.01308 149.7
[M+NH4]+ 250.05418 162.3
[M+K]+ 270.98352 152.3
[M+H-H2O]+ 215.01762 132.4
[M+HCOO]- 277.01856 161.4
[M+CH3COO]- 291.03421 158.2
[M+Na-2H]- 252.99503 151.9
[M]+ 232.01981 142.2
[M]- 232.02091 142.2
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