CID 70874023

2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C8H4BrClN2O
SMILES
C1=CC(=CC=C1C2=NN=C(O2)Br)Cl
InChI
InChI=1S/C8H4BrClN2O/c9-8-12-11-7(13-8)5-1-3-6(10)4-2-5/h1-4H
InChIKey
ZQCJHLYJBGDXQH-UHFFFAOYSA-N
Compound name
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

257.91956 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.92684 142.0
[M+Na]+ 280.90878 157.0
[M-H]- 256.91228 150.0
[M+NH4]+ 275.95338 161.7
[M+K]+ 296.88272 145.9
[M+H-H2O]+ 240.91682 141.7
[M+HCOO]- 302.91776 159.0
[M+CH3COO]- 316.93341 158.1
[M+Na-2H]- 278.89423 150.5
[M]+ 257.91901 164.0
[M]- 257.92011 164.0
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