CID 58574354

2-ethynyl-6-fluoropyridine

Structural Information

Molecular Formula
C7H4FN
SMILES
C#CC1=NC(=CC=C1)F
InChI
InChI=1S/C7H4FN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H
InChIKey
JFEWFXHNPSMINO-UHFFFAOYSA-N
Compound name
2-ethynyl-6-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

121.032776 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.040052 117.8
[M+Na]+ 144.021994 129.3
[M-H]- 120.025500 117.7
[M+NH4]+ 139.066599 136.6
[M+K]+ 159.995934 125.8
[M+H-H2O]+ 104.030036 105.2
[M+HCOO]- 166.030977 135.0
[M+CH3COO]- 180.046627 179.5
[M+Na-2H]- 142.007442 125.1
[M]+ 121.03222742 110.8
[M]- 121.03332458 110.8
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