CID 12661209

3-(4-bromo-1h-pyrazol-1-yl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

222.9745 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe