CID 4962558

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

Structural Information

Molecular Formula
C11H11ClN2O3
SMILES
COC1=CC(=C(C=C1)C2=NOC(=N2)CCl)OC
InChI
InChI=1S/C11H11ClN2O3/c1-15-7-3-4-8(9(5-7)16-2)11-13-10(6-12)17-14-11/h3-5H,6H2,1-2H3
InChIKey
PAIAKDQUXNBITM-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.04582 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05310 152.1
[M+Na]+ 277.03504 167.1
[M+NH4]+ 272.07964 159.7
[M+K]+ 293.00898 162.5
[M-H]- 253.03854 155.7
[M+Na-2H]- 275.02049 159.3
[M]+ 254.04527 155.6
[M]- 254.04637 155.6
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.