CID 74891451

2-ethynyl-5-fluoropyridin-3-amine

Structural Information

Molecular Formula
C7H5FN2
SMILES
C#CC1=C(C=C(C=N1)F)N
InChI
InChI=1S/C7H5FN2/c1-2-7-6(9)3-5(8)4-10-7/h1,3-4H,9H2
InChIKey
UEGLFKRBEWBVTF-UHFFFAOYSA-N
Compound name
2-ethynyl-5-fluoropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.04367 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.050946 123.9
[M+Na]+ 159.032888 135.2
[M-H]- 135.036394 123.5
[M+NH4]+ 154.077493 141.8
[M+K]+ 175.006828 131.6
[M+H-H2O]+ 119.040930 111.1
[M+HCOO]- 181.041871 141.3
[M+CH3COO]- 195.057521 184.1
[M+Na-2H]- 157.018336 129.5
[M]+ 136.04312142 115.5
[M]- 136.04421858 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

No patent data available for this compound.