CID 46835711

5-ethynyl-2-fluoropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

121.032776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.04005 117.8
[M+Na]+ 144.02199 129.3
[M-H]- 120.02550 117.7
[M+NH4]+ 139.06660 136.6
[M+K]+ 159.99593 125.8
[M+H-H2O]+ 104.03004 105.2
[M+HCOO]- 166.03098 135.0
[M+CH3COO]- 180.04663 179.5
[M+Na-2H]- 142.00744 125.1
[M]+ 121.03223 110.8
[M]- 121.03332 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