CID 124252481

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

Structural Information

Molecular Formula
C8H3Br2ClN2O
SMILES
C1=C(C=C(C=C1Br)Br)C2=NOC(=N2)Cl
InChI
InChI=1S/C8H3Br2ClN2O/c9-5-1-4(2-6(10)3-5)7-12-8(11)14-13-7/h1-3H
InChIKey
RXLSBLVAKJGHEH-UHFFFAOYSA-N
Compound name
5-chloro-3-(3,5-dibromophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.83008 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.83736 144.0
[M+Na]+ 358.81930 158.2
[M-H]- 334.82280 152.4
[M+NH4]+ 353.86390 161.6
[M+K]+ 374.79324 143.1
[M+H-H2O]+ 318.82734 152.4
[M+HCOO]- 380.82828 156.6
[M+CH3COO]- 394.84393 159.0
[M+Na-2H]- 356.80475 151.5
[M]+ 335.82953 181.1
[M]- 335.83063 181.1
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.