CID 74891517

2-chloro-4-ethynyl-3-fluoropyridine

Structural Information

Molecular Formula
C7H3ClFN
SMILES
C#CC1=C(C(=NC=C1)Cl)F
InChI
InChI=1S/C7H3ClFN/c1-2-5-3-4-10-7(8)6(5)9/h1,3-4H
InChIKey
FNHBITWNOOBSAT-UHFFFAOYSA-N
Compound name
2-chloro-4-ethynyl-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.9938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.00108 122.1
[M+Na]+ 177.98302 135.2
[M-H]- 153.98652 122.1
[M+NH4]+ 173.02762 140.8
[M+K]+ 193.95696 129.9
[M+H-H2O]+ 137.99106 110.4
[M+HCOO]- 199.99200 135.3
[M+CH3COO]- 214.00765 183.9
[M+Na-2H]- 175.96847 128.4
[M]+ 154.99325 117.2
[M]- 154.99435 117.2
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.