CID 16655946

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

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1=CN(N=C1)C2=NC=C(C=C2)CCl
InChI
InChI=1S/C9H8ClN3/c10-6-8-2-3-9(11-7-8)13-5-1-4-12-13/h1-5,7H,6H2
InChIKey
QVDLCABKNWXXQF-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-pyrazol-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

193.04068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.047956 138.0
[M+Na]+ 216.029898 148.3
[M-H]- 192.033404 140.6
[M+NH4]+ 211.074503 155.8
[M+K]+ 232.003838 143.7
[M+H-H2O]+ 176.037940 129.2
[M+HCOO]- 238.038881 155.9
[M+CH3COO]- 252.054531 151.2
[M+Na-2H]- 214.015346 144.7
[M]+ 193.04013142 139.7
[M]- 193.04122858 139.7
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

patents stripe