CID 22463471

5-fluoronicotinonitrile

Structural Information

Molecular Formula
C6H3FN2
SMILES
C1=C(C=NC=C1F)C#N
InChI
InChI=1S/C6H3FN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H
InChIKey
LQJWCPZRNHAVJD-UHFFFAOYSA-N
Compound name
5-fluoropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

122.02802 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.03530 124.0
[M+Na]+ 145.01724 137.0
[M+NH4]+ 140.06184 129.1
[M+K]+ 160.99118 127.2
[M-H]- 121.02074 117.4
[M+Na-2H]- 143.00269 129.1
[M]+ 122.02747 123.1
[M]- 122.02857 123.1
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