CID 60984396

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

Structural Information

Molecular Formula
C8H4BrClN2O
SMILES
C1=CC=C(C(=C1)C2=NOC(=N2)Cl)Br
InChI
InChI=1S/C8H4BrClN2O/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H
InChIKey
SDQYSJVYMHKDAL-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-5-chloro-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.91956 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.926836 142.0
[M+Na]+ 280.908778 157.0
[M-H]- 256.912284 150.0
[M+NH4]+ 275.953383 161.7
[M+K]+ 296.882718 145.9
[M+H-H2O]+ 240.916820 141.7
[M+HCOO]- 302.917761 159.0
[M+CH3COO]- 316.933411 158.1
[M+Na-2H]- 278.894226 150.5
[M]+ 257.91901142 164.0
[M]- 257.92010858 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

No patent data available for this compound.