CID 2763466

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

Structural Information

Molecular Formula
C9H5Cl3N2O
SMILES
C1=CC(=C(C=C1C2=NN=C(O2)CCl)Cl)Cl
InChI
InChI=1S/C9H5Cl3N2O/c10-4-8-13-14-9(15-8)5-1-2-6(11)7(12)3-5/h1-3H,4H2
InChIKey
NTJXILNOEFQNJR-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

261.94675 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.954026 151.1
[M+Na]+ 284.935968 163.0
[M-H]- 260.939474 154.1
[M+NH4]+ 279.980573 166.9
[M+K]+ 300.909908 158.0
[M+H-H2O]+ 244.944010 144.1
[M+HCOO]- 306.944951 158.4
[M+CH3COO]- 320.960601 163.2
[M+Na-2H]- 282.921416 154.6
[M]+ 261.94620142 155.7
[M]- 261.94729858 155.7
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

patents stripe