CID 63811476

5-chloro-2-(1h-pyrazol-1-yl)pyridine

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1=CN(N=C1)C2=NC=C(C=C2)Cl
InChI
InChI=1S/C8H6ClN3/c9-7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6H
InChIKey
MFBBOYIMZNGMMP-UHFFFAOYSA-N
Compound name
5-chloro-2-pyrazol-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

179.02502 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03230 133.7
[M+Na]+ 202.01424 149.3
[M+NH4]+ 197.05884 142.7
[M+K]+ 217.98818 143.4
[M-H]- 178.01774 136.5
[M+Na-2H]- 199.99969 143.6
[M]+ 179.02447 137.0
[M]- 179.02557 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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