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 165.1
[M+Na]+ 322.01205 175.4
[M-H]- 298.01555 169.3
[M+NH4]+ 317.05665 179.2
[M+K]+ 337.98599 170.2
[M+H-H2O]+ 282.02009 157.2
[M+HCOO]- 344.02103 178.8
[M+CH3COO]- 358.03668 201.0
[M+Na-2H]- 319.99750 168.9
[M]+ 299.02228 171.2
[M]- 299.02338 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.