CID 133552659

2-fluoro-6-(2-cyanophenyl)pyridine

Structural Information

Molecular Formula
C12H7FN2
SMILES
C1=CC=C(C(=C1)C#N)C2=NC(=CC=C2)F
InChI
InChI=1S/C12H7FN2/c13-12-7-3-6-11(15-12)10-5-2-1-4-9(10)8-14/h1-7H
InChIKey
TUTBKJLDWMSOPR-UHFFFAOYSA-N
Compound name
2-(6-fluoropyridin-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06661 141.1
[M+Na]+ 221.04855 152.4
[M-H]- 197.05205 144.1
[M+NH4]+ 216.09315 157.0
[M+K]+ 237.02249 146.7
[M+H-H2O]+ 181.05659 126.1
[M+HCOO]- 243.05753 160.0
[M+CH3COO]- 257.07318 152.7
[M+Na-2H]- 219.03400 147.5
[M]+ 198.05878 134.4
[M]- 198.05988 134.4
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

No patent data available for this compound.