CID 58318647

1289114-66-4

Structural Information

Molecular Formula
C6H5FN2O
SMILES
C1=C(C=NC(=C1N)C=O)F
InChI
InChI=1S/C6H5FN2O/c7-4-1-5(8)6(3-10)9-2-4/h1-3H,8H2
InChIKey
VRWNWXWPHVFGAT-UHFFFAOYSA-N
Compound name
3-amino-5-fluoropyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

140.03859 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04587 123.0
[M+Na]+ 163.02781 133.1
[M-H]- 139.03131 124.4
[M+NH4]+ 158.07241 143.2
[M+K]+ 179.00175 130.9
[M+H-H2O]+ 123.03585 116.1
[M+HCOO]- 185.03679 147.1
[M+CH3COO]- 199.05244 175.1
[M+Na-2H]- 161.01326 130.2
[M]+ 140.03804 121.0
[M]- 140.03914 121.0
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