CID 22631144

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

Structural Information

Molecular Formula
C8H6BrN3
SMILES
C1=CN(N=C1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C8H6BrN3/c9-7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6H
InChIKey
AAZVSSMAJOIOOI-UHFFFAOYSA-N
Compound name
5-bromo-2-pyrazol-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

222.9745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.98178 136.1
[M+Na]+ 245.96372 149.4
[M-H]- 221.96722 142.1
[M+NH4]+ 241.00832 156.0
[M+K]+ 261.93766 138.6
[M+H-H2O]+ 205.97176 134.7
[M+HCOO]- 267.97270 157.2
[M+CH3COO]- 281.98835 151.7
[M+Na-2H]- 243.94917 145.2
[M]+ 222.97395 154.7
[M]- 222.97505 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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