CID 218035

40056-70-0

Structural Information

Molecular Formula
C11H11Cl2N3O2
SMILES
CCNC1=NN=C(O1)COC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C11H11Cl2N3O2/c1-2-14-11-16-15-10(18-11)6-17-9-5-7(12)3-4-8(9)13/h3-5H,2,6H2,1H3,(H,14,16)
InChIKey
QESFBFZETJDDBC-UHFFFAOYSA-N
Compound name
5-[(2,5-dichlorophenoxy)methyl]-N-ethyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.02283 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03011 161.1
[M+Na]+ 310.01205 171.5
[M-H]- 286.01555 165.4
[M+NH4]+ 305.05665 175.7
[M+K]+ 325.98599 167.1
[M+H-H2O]+ 270.02009 153.3
[M+HCOO]- 332.02103 174.9
[M+CH3COO]- 346.03668 198.8
[M+Na-2H]- 307.99750 165.4
[M]+ 287.02228 167.5
[M]- 287.02338 167.5
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.