CID 61029092

5-((4-bromo-1h-pyrazol-1-yl)methyl)isoxazole

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
C1=C(ON=C1)CN2C=C(C=N2)Br
InChI
InChI=1S/C7H6BrN3O/c8-6-3-9-11(4-6)5-7-1-2-10-12-7/h1-4H,5H2
InChIKey
NHPMBHFZXHCLEH-UHFFFAOYSA-N
Compound name
5-[(4-bromopyrazol-1-yl)methyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96942 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97670 146.1
[M+Na]+ 249.95864 150.2
[M+NH4]+ 245.00324 150.2
[M+K]+ 265.93258 153.4
[M-H]- 225.96214 147.2
[M+Na-2H]- 247.94409 150.0
[M]+ 226.96887 145.8
[M]- 226.96997 145.8
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.