CID 218041

Brn 1037635

Structural Information

Molecular Formula
C16H13Cl2N3O2
SMILES
CC1=CC=CC=C1NC2=NN=C(O2)COC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O2/c1-10-4-2-3-5-13(10)19-16-21-20-15(23-16)9-22-14-8-11(17)6-7-12(14)18/h2-8H,9H2,1H3,(H,19,21)
InChIKey
PCERVBJFQPIWSO-UHFFFAOYSA-N
Compound name
5-[(2,5-dichlorophenoxy)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.03848 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.04576 178.7
[M+Na]+ 372.02770 189.3
[M-H]- 348.03120 186.2
[M+NH4]+ 367.07230 190.7
[M+K]+ 388.00164 183.5
[M+H-H2O]+ 332.03574 169.4
[M+HCOO]- 394.03668 192.2
[M+CH3COO]- 408.05233 189.9
[M+Na-2H]- 370.01315 181.8
[M]+ 349.03793 185.2
[M]- 349.03903 185.2
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.