CID 218037

Brn 1019684

Structural Information

Molecular Formula
C12H11Cl2N3O2
SMILES
C=CCNC1=NN=C(O1)COC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C12H11Cl2N3O2/c1-2-5-15-12-17-16-11(19-12)7-18-10-6-8(13)3-4-9(10)14/h2-4,6H,1,5,7H2,(H,15,17)
InChIKey
XYEQOWWSDCPMRM-UHFFFAOYSA-N
Compound name
5-[(2,5-dichlorophenoxy)methyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.02283 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03011 163.8
[M+Na]+ 322.01205 178.2
[M+NH4]+ 317.05665 170.9
[M+K]+ 337.98599 172.3
[M-H]- 298.01555 167.5
[M+Na-2H]- 319.99750 170.4
[M]+ 299.02228 167.4
[M]- 299.02338 167.4
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.