CID 715120

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

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CC(=CC=C1C2=NN=CO2)Br
InChI
InChI=1S/C8H5BrN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
InChIKey
UGBVZNXXRZISHN-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

111
Patents

223.95853 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96581 136.5
[M+Na]+ 246.94775 149.7
[M-H]- 222.95125 144.4
[M+NH4]+ 241.99235 156.4
[M+K]+ 262.92169 140.5
[M+H-H2O]+ 206.95579 135.8
[M+HCOO]- 268.95673 158.1
[M+CH3COO]- 282.97238 152.7
[M+Na-2H]- 244.93320 146.1
[M]+ 223.95798 156.4
[M]- 223.95908 156.4
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