CID 67398353

886536-48-7

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1=CC=NC(=C1)N2C=C(C=N2)CCl
InChI
InChI=1S/C9H8ClN3/c10-5-8-6-12-13(7-8)9-3-1-2-4-11-9/h1-4,6-7H,5H2
InChIKey
HSJWMZWILGBGPS-UHFFFAOYSA-N
Compound name
2-[4-(chloromethyl)pyrazol-1-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

193.04068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 138.0
[M+Na]+ 216.02990 148.3
[M-H]- 192.03340 140.6
[M+NH4]+ 211.07450 155.8
[M+K]+ 232.00384 143.7
[M+H-H2O]+ 176.03794 129.2
[M+HCOO]- 238.03888 155.9
[M+CH3COO]- 252.05453 151.2
[M+Na-2H]- 214.01535 144.7
[M]+ 193.04013 139.7
[M]- 193.04123 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