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]+ 336.837356 144.0
[M+Na]+ 358.819298 158.2
[M-H]- 334.822804 152.4
[M+NH4]+ 353.863903 161.6
[M+K]+ 374.793238 143.1
[M+H-H2O]+ 318.827340 152.4
[M+HCOO]- 380.828281 156.6
[M+CH3COO]- 394.843931 159.0
[M+Na-2H]- 356.804746 151.5
[M]+ 335.82953142 181.1
[M]- 335.83062858 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.