CID 11345106

2-(4-bromo-pyrazol-1-yl)-pyridine

Structural Information

Molecular Formula
C8H6BrN3
SMILES
C1=CC=NC(=C1)N2C=C(C=N2)Br
InChI
InChI=1S/C8H6BrN3/c9-7-5-11-12(6-7)8-3-1-2-4-10-8/h1-6H
InChIKey
FQTMKCJYDXTYMK-UHFFFAOYSA-N
Compound name
2-(4-bromopyrazol-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

222.9745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.981776 136.1
[M+Na]+ 245.963718 149.4
[M-H]- 221.967224 142.1
[M+NH4]+ 241.008323 156.0
[M+K]+ 261.937658 138.6
[M+H-H2O]+ 205.971760 134.7
[M+HCOO]- 267.972701 157.2
[M+CH3COO]- 281.988351 151.7
[M+Na-2H]- 243.949166 145.2
[M]+ 222.97395142 154.7
[M]- 222.97504858 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

No literature data available for this compound.

Patent stripe

patents stripe