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]+ 300.030106 165.1
[M+Na]+ 322.012048 175.4
[M-H]- 298.015554 169.3
[M+NH4]+ 317.056653 179.2
[M+K]+ 337.985988 170.2
[M+H-H2O]+ 282.020090 157.2
[M+HCOO]- 344.021031 178.8
[M+CH3COO]- 358.036681 201.0
[M+Na-2H]- 319.997496 168.9
[M]+ 299.02228142 171.2
[M]- 299.02337858 171.2
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.