CID 118036901

6-amino-4-fluoronicotinonitrile

Structural Information

Molecular Formula
C6H4FN3
SMILES
C1=C(C(=CN=C1N)C#N)F
InChI
InChI=1S/C6H4FN3/c7-5-1-6(9)10-3-4(5)2-8/h1,3H,(H2,9,10)
InChIKey
GBKZCKNJGIKMGP-UHFFFAOYSA-N
Compound name
6-amino-4-fluoropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

137.03893 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.04621 123.3
[M+Na]+ 160.02815 134.4
[M-H]- 136.03165 124.0
[M+NH4]+ 155.07275 141.3
[M+K]+ 176.00209 131.9
[M+H-H2O]+ 120.03619 109.9
[M+HCOO]- 182.03713 143.2
[M+CH3COO]- 196.05278 188.1
[M+Na-2H]- 158.01360 129.9
[M]+ 137.03838 115.5
[M]- 137.03948 115.5
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