CID 96791

2-(2-bromophenyl)-5-phenyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C14H9BrN2O
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3Br
InChI
InChI=1S/C14H9BrN2O/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H
InChIKey
LXTOVESBFFREMZ-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

299.98984 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.99712 158.7
[M+Na]+ 322.97906 171.3
[M-H]- 298.98256 169.4
[M+NH4]+ 318.02366 175.3
[M+K]+ 338.95300 160.7
[M+H-H2O]+ 282.98710 157.0
[M+HCOO]- 344.98804 179.6
[M+CH3COO]- 359.00369 173.4
[M+Na-2H]- 320.96451 166.2
[M]+ 299.98929 178.5
[M]- 299.99039 178.5
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.