CID 122240437

2098092-67-0

Structural Information

Molecular Formula
C6H3BrN4O
SMILES
C1=C(C=NC(=N1)C2=NOC=N2)Br
InChI
InChI=1S/C6H3BrN4O/c7-4-1-8-5(9-2-4)6-10-3-12-11-6/h1-3H
InChIKey
YSSRPBFOFUEZOB-UHFFFAOYSA-N
Compound name
3-(5-bromopyrimidin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.94902 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.95630 133.1
[M+Na]+ 248.93824 147.2
[M-H]- 224.94174 138.7
[M+NH4]+ 243.98284 150.3
[M+K]+ 264.91218 138.1
[M+H-H2O]+ 208.94628 131.4
[M+HCOO]- 270.94722 152.9
[M+CH3COO]- 284.96287 148.8
[M+Na-2H]- 246.92369 143.6
[M]+ 225.94847 153.3
[M]- 225.94957 153.3
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.