CID 356897

5-(4-bromophenyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
C1=CC(=CC=C1C2=NN=C(O2)N)Br
InChI
InChI=1S/C8H6BrN3O/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKey
UNSGGKLETSYTPE-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

238.96942 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.97670 146.3
[M+Na]+ 261.95864 150.3
[M+NH4]+ 257.00324 150.7
[M+K]+ 277.93258 152.1
[M-H]- 237.96214 148.8
[M+Na-2H]- 259.94409 150.5
[M]+ 238.96887 146.3
[M]- 238.96997 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe