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]+ 248.938366 146.5
[M+Na]+ 270.920308 158.8
[M-H]- 246.923814 149.6
[M+NH4]+ 265.964913 162.8
[M+K]+ 286.894248 154.0
[M+H-H2O]+ 230.928350 139.8
[M+HCOO]- 292.929291 154.1
[M+CH3COO]- 306.944941 159.1
[M+Na-2H]- 268.905756 150.6
[M]+ 247.93054142 150.7
[M]- 247.93163858 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.