CID 165448570

2-(4-bromo-1h-pyrazol-1-yl)-5-methyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C6H5BrN4O
SMILES
CC1=NN=C(O1)N2C=C(C=N2)Br
InChI
InChI=1S/C6H5BrN4O/c1-4-9-10-6(12-4)11-3-5(7)2-8-11/h2-3H,1H3
InChIKey
RWRCGWCUASZSOB-UHFFFAOYSA-N
Compound name
2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.96468 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.97196 146.1
[M+Na]+ 250.95390 150.4
[M+NH4]+ 245.99850 149.6
[M+K]+ 266.92784 154.2
[M-H]- 226.95740 146.5
[M+Na-2H]- 248.93935 149.5
[M]+ 227.96413 145.5
[M]- 227.96523 145.5
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.