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]+ 262.95403 151.1
[M+Na]+ 284.93597 163.0
[M-H]- 260.93947 154.1
[M+NH4]+ 279.98057 166.9
[M+K]+ 300.90991 158.0
[M+H-H2O]+ 244.94401 144.1
[M+HCOO]- 306.94495 158.4
[M+CH3COO]- 320.96060 163.2
[M+Na-2H]- 282.92142 154.6
[M]+ 261.94620 155.7
[M]- 261.94730 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