CID 10937610

Mefenpyr-diethyl

Structural Information

Molecular Formula
C16H18Cl2N2O4
SMILES
CCOC(=O)C1=NN(C(C1)(C)C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3
InChIKey
OPGCOAPTHCZZIW-UHFFFAOYSA-N
Compound name
diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

12082
Patents

372.06436 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07164 179.2
[M+Na]+ 395.05358 191.7
[M+NH4]+ 390.09818 186.1
[M+K]+ 411.02752 185.8
[M-H]- 371.05708 179.6
[M+Na-2H]- 393.03903 184.9
[M]+ 372.06381 181.6
[M]- 372.06491 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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