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]+ 241.972366 139.6
[M+Na]+ 263.954308 153.8
[M-H]- 239.957814 144.7
[M+NH4]+ 258.998913 159.0
[M+K]+ 279.928248 142.4
[M+H-H2O]+ 223.962350 137.5
[M+HCOO]- 285.963291 159.7
[M+CH3COO]- 299.978941 154.9
[M+Na-2H]- 261.939756 147.3
[M]+ 240.96454142 157.5
[M]- 240.96563858 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