CID 16778918

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

Structural Information

Molecular Formula
C11H10Cl2N2O3
SMILES
COC1=C(C(=CC(=C1)C2=NOC(=N2)CCl)Cl)OC
InChI
InChI=1S/C11H10Cl2N2O3/c1-16-8-4-6(3-7(13)10(8)17-2)11-14-9(5-12)18-15-11/h3-4H,5H2,1-2H3
InChIKey
GSKBQRMMSODBPX-UHFFFAOYSA-N
Compound name
3-(3-chloro-4,5-dimethoxyphenyl)-5-(chloromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.00684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01412 158.2
[M+Na]+ 310.99606 170.4
[M-H]- 286.99956 163.0
[M+NH4]+ 306.04066 173.5
[M+K]+ 326.97000 166.7
[M+H-H2O]+ 271.00410 151.0
[M+HCOO]- 333.00504 171.2
[M+CH3COO]- 347.02069 197.2
[M+Na-2H]- 308.98151 161.6
[M]+ 288.00629 167.1
[M]- 288.00739 167.1
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.