CID 43513133

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

Structural Information

Molecular Formula
C10H7Cl3N2O
SMILES
CC(C1=NN=C(O1)C2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C10H7Cl3N2O/c1-5(11)9-14-15-10(16-9)6-2-3-7(12)8(13)4-6/h2-5H,1H3
InChIKey
LEBLICFRYNMLEU-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9624 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96968 154.9
[M+Na]+ 298.95162 166.1
[M-H]- 274.95512 158.0
[M+NH4]+ 293.99622 170.2
[M+K]+ 314.92556 161.3
[M+H-H2O]+ 258.95966 148.0
[M+HCOO]- 320.96060 161.1
[M+CH3COO]- 334.97625 166.6
[M+Na-2H]- 296.93707 156.9
[M]+ 275.96185 159.4
[M]- 275.96295 159.4
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.