CID 83258

Tomacon

Structural Information

Molecular Formula
C13H12Cl2N2O2
SMILES
CC1=CC(=NN1C(=O)COC2=C(C=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C13H12Cl2N2O2/c1-8-5-9(2)17(16-8)13(18)7-19-12-4-3-10(14)6-11(12)15/h3-6H,7H2,1-2H3
InChIKey
WGEUSFXLHJRECP-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

145
Patents

298.0276 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.03488 163.0
[M+Na]+ 321.01682 178.2
[M+NH4]+ 316.06142 170.6
[M+K]+ 336.99076 172.4
[M-H]- 297.02032 165.1
[M+Na-2H]- 319.00227 169.8
[M]+ 298.02705 166.3
[M]- 298.02815 166.3
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

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