CID 165707322

5-(but-3-yn-1-yl)-2-chloropyridine

Structural Information

Molecular Formula
C9H8ClN
SMILES
C#CCCC1=CN=C(C=C1)Cl
InChI
InChI=1S/C9H8ClN/c1-2-3-4-8-5-6-9(10)11-7-8/h1,5-7H,3-4H2
InChIKey
NXXISPKYVSMPLO-UHFFFAOYSA-N
Compound name
5-but-3-ynyl-2-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.03453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04181 130.5
[M+Na]+ 188.02375 142.2
[M-H]- 164.02725 131.2
[M+NH4]+ 183.06835 148.6
[M+K]+ 203.99769 136.5
[M+H-H2O]+ 148.03179 119.0
[M+HCOO]- 210.03273 143.9
[M+CH3COO]- 224.04838 185.9
[M+Na-2H]- 186.00920 136.8
[M]+ 165.03398 126.9
[M]- 165.03508 126.9
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.