CID 44754926

2-ethynyl-5-fluoropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

121.032776 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe