CID 6476950

(e)-3-(2-amino-3-pyridyl)prop-2-enoyl fluoride

Structural Information

Molecular Formula
C8H7FN2O
SMILES
C1=CC(=C(N=C1)N)/C=C/C(=O)F
InChI
InChI=1S/C8H7FN2O/c9-7(12)4-3-6-2-1-5-11-8(6)10/h1-5H,(H2,10,11)/b4-3+
InChIKey
BOWDCSPPDAWCCX-ONEGZZNKSA-N
Compound name
(E)-3-(2-aminopyridin-3-yl)prop-2-enoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

166.05424 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06152 131.9
[M+Na]+ 189.04346 140.3
[M-H]- 165.04696 132.7
[M+NH4]+ 184.08806 150.6
[M+K]+ 205.01740 137.4
[M+H-H2O]+ 149.05150 124.5
[M+HCOO]- 211.05244 154.5
[M+CH3COO]- 225.06809 179.3
[M+Na-2H]- 187.02891 137.5
[M]+ 166.05369 128.8
[M]- 166.05479 128.8
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

No patent data available for this compound.