CID 47003169

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

Structural Information

Molecular Formula
C8H4Cl2N2O
SMILES
C1=CC=C(C(=C1)C2=NOC(=N2)Cl)Cl
InChI
InChI=1S/C8H4Cl2N2O/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H
InChIKey
CYJHUZVIAQKYLV-UHFFFAOYSA-N
Compound name
5-chloro-3-(2-chlorophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.97006 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97734 139.3
[M+Na]+ 236.95928 151.2
[M-H]- 212.96278 143.7
[M+NH4]+ 232.00388 157.0
[M+K]+ 252.93322 147.1
[M+H-H2O]+ 196.96732 132.4
[M+HCOO]- 258.96826 152.8
[M+CH3COO]- 272.98391 153.1
[M+Na-2H]- 234.94473 145.5
[M]+ 213.96951 143.5
[M]- 213.97061 143.5
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

patents stripe