CID 90134582

1361058-62-9

Structural Information

Molecular Formula
C6H4FN3
SMILES
C1=C(C=NC(=C1F)N)C#N
InChI
InChI=1S/C6H4FN3/c7-5-1-4(2-8)3-10-6(5)9/h1,3H,(H2,9,10)
InChIKey
PXOJHQYYFBTYTR-UHFFFAOYSA-N
Compound name
6-amino-5-fluoropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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

No literature data available for this compound.

Patent stripe

patents stripe