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

literature stripe

Patent stripe

patents stripe