CID 71650896

2-chloro-4-ethynyl-5-fluoropyridine

Structural Information

Molecular Formula
C7H3ClFN
SMILES
C#CC1=CC(=NC=C1F)Cl
InChI
InChI=1S/C7H3ClFN/c1-2-5-3-7(8)10-4-6(5)9/h1,3-4H
InChIKey
PQHQPVFHTBRVBG-UHFFFAOYSA-N
Compound name
2-chloro-4-ethynyl-5-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]+ 156.001076 122.1
[M+Na]+ 177.983018 135.2
[M-H]- 153.986524 122.1
[M+NH4]+ 173.027623 140.8
[M+K]+ 193.956958 129.9
[M+H-H2O]+ 137.991060 110.4
[M+HCOO]- 199.992001 135.3
[M+CH3COO]- 214.007651 183.9
[M+Na-2H]- 175.968466 128.4
[M]+ 154.99325142 117.2
[M]- 154.99434858 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.