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 148.1
[M+Na]+ 264.99059 164.6
[M+NH4]+ 260.03519 157.0
[M+K]+ 280.96453 158.4
[M-H]- 240.99409 152.4
[M+Na-2H]- 262.97604 156.2
[M]+ 242.00082 152.4
[M]- 242.00192 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.