CID 57642681

944718-29-0

Structural Information

Molecular Formula
C7H5BrN4O
SMILES
C1=CC(=NC=C1Br)C2=NN=C(O2)N
InChI
InChI=1S/C7H5BrN4O/c8-4-1-2-5(10-3-4)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKey
LCURBDWCMSYHQB-UHFFFAOYSA-N
Compound name
5-(5-bromopyridin-2-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

239.96468 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.97196 139.4
[M+Na]+ 262.95390 152.8
[M-H]- 238.95740 145.9
[M+NH4]+ 257.99850 156.9
[M+K]+ 278.92784 142.7
[M+H-H2O]+ 222.96194 137.4
[M+HCOO]- 284.96288 160.3
[M+CH3COO]- 298.97853 154.7
[M+Na-2H]- 260.93935 148.1
[M]+ 239.96413 158.2
[M]- 239.96523 158.2
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