CID 112571895

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

Structural Information

Molecular Formula
C8H3Cl3N2O
SMILES
C1=C(C=C(C=C1Cl)Cl)C2=NC(=NO2)Cl
InChI
InChI=1S/C8H3Cl3N2O/c9-5-1-4(2-6(10)3-5)7-12-8(11)13-14-7/h1-3H
InChIKey
CKGXPHLXWKGJKA-UHFFFAOYSA-N
Compound name
3-chloro-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.93109 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.93837 146.5
[M+Na]+ 270.92031 158.8
[M-H]- 246.92381 149.6
[M+NH4]+ 265.96491 162.8
[M+K]+ 286.89425 154.0
[M+H-H2O]+ 230.92835 139.8
[M+HCOO]- 292.92929 154.1
[M+CH3COO]- 306.94494 159.1
[M+Na-2H]- 268.90576 150.6
[M]+ 247.93054 150.7
[M]- 247.93164 150.7
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.