CID 3042945

Brn 1024259

Structural Information

Molecular Formula
C15H11Cl2N3O2
SMILES
C1=CC=C(C=C1)NC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2N3O2/c16-10-6-7-13(12(17)8-10)21-9-14-19-20-15(22-14)18-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,20)
InChIKey
TULMRDSKWHLPDP-UHFFFAOYSA-N
Compound name
5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.02283 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.030106 173.4
[M+Na]+ 358.012048 183.5
[M-H]- 334.015554 180.7
[M+NH4]+ 353.056653 185.6
[M+K]+ 373.985988 177.9
[M+H-H2O]+ 318.020090 164.0
[M+HCOO]- 380.021031 187.2
[M+CH3COO]- 394.036681 184.7
[M+Na-2H]- 355.997496 177.8
[M]+ 335.02228142 179.1
[M]- 335.02337858 179.1
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.