CID 62733250

2-(4-bromo-1h-pyrazol-1-yl)-3-fluoropyridine

Structural Information

Molecular Formula
C8H5BrFN3
SMILES
C1=CC(=C(N=C1)N2C=C(C=N2)Br)F
InChI
InChI=1S/C8H5BrFN3/c9-6-4-12-13(5-6)8-7(10)2-1-3-11-8/h1-5H
InChIKey
HURNEWQPLMWVDA-UHFFFAOYSA-N
Compound name
2-(4-bromopyrazol-1-yl)-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.96509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.97237 139.6
[M+Na]+ 263.95431 153.8
[M-H]- 239.95781 144.7
[M+NH4]+ 258.99891 159.0
[M+K]+ 279.92825 142.4
[M+H-H2O]+ 223.96235 137.5
[M+HCOO]- 285.96329 159.7
[M+CH3COO]- 299.97894 154.9
[M+Na-2H]- 261.93976 147.3
[M]+ 240.96454 157.5
[M]- 240.96564 157.5
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

patents stripe