CID 129951181

2260933-15-9

Structural Information

Molecular Formula
C8H6BrN3
SMILES
C1=CN=CC=C1C2=NNC(=C2)Br
InChI
InChI=1S/C8H6BrN3/c9-8-5-7(11-12-8)6-1-3-10-4-2-6/h1-5H,(H,11,12)
InChIKey
DWVSQBAUYHTSRQ-UHFFFAOYSA-N
Compound name
4-(5-bromo-1H-pyrazol-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.9
[M+Na]+ 245.96372 148.3
[M+NH4]+ 241.00832 148.4
[M+K]+ 261.93766 149.2
[M-H]- 221.96722 144.4
[M+Na-2H]- 243.94917 148.9
[M]+ 222.97395 143.5
[M]- 222.97505 143.5
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

No patent data available for this compound.