CID 29732

Oxadiazon

Structural Information

Molecular Formula
C15H18Cl2N2O3
SMILES
CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl
InChI
InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
InChIKey
CHNUNORXWHYHNE-UHFFFAOYSA-N
Compound name
5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

72
References

32090
Patents

344.06946 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.076736 176.1
[M+Na]+ 367.058678 187.8
[M-H]- 343.062184 181.5
[M+NH4]+ 362.103283 189.6
[M+K]+ 383.032618 183.7
[M+H-H2O]+ 327.066720 169.5
[M+HCOO]- 389.067661 185.5
[M+CH3COO]- 403.083311 210.1
[M+Na-2H]- 365.044126 176.6
[M]+ 344.06891142 185.1
[M]- 344.07000858 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe