CID 108015206

2-(4-chloro-2-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C10H8Cl2N2O
SMILES
CC1=C(C=CC(=C1)Cl)C2=NN=C(O2)CCl
InChI
InChI=1S/C10H8Cl2N2O/c1-6-4-7(12)2-3-8(6)10-14-13-9(5-11)15-10/h2-4H,5H2,1H3
InChIKey
NDRKUKQKPOYWPE-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.00137 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00865 148.8
[M+Na]+ 264.99059 160.8
[M-H]- 240.99409 153.2
[M+NH4]+ 260.03519 165.7
[M+K]+ 280.96453 156.2
[M+H-H2O]+ 224.99863 141.7
[M+HCOO]- 286.99957 161.6
[M+CH3COO]- 301.01522 162.0
[M+Na-2H]- 262.97604 153.2
[M]+ 242.00082 154.0
[M]- 242.00192 154.0
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.