CID 70495450

Florpyrauxifen-benzyl

Structural Information

Molecular Formula
C20H14Cl2F2N2O3
SMILES
COC1=C(C=CC(=C1F)C2=NC(=C(C(=C2F)N)Cl)C(=O)OCC3=CC=CC=C3)Cl
InChI
InChI=1S/C20H14Cl2F2N2O3/c1-28-19-12(21)8-7-11(14(19)23)17-15(24)16(25)13(22)18(26-17)20(27)29-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,25,26)
InChIKey
WNZCDFOXYNRBRB-UHFFFAOYSA-N
Compound name
benzyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2238
Patents

438.03494 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.04222 195.9
[M+Na]+ 461.02416 210.9
[M+NH4]+ 456.06876 201.4
[M+K]+ 476.99810 202.7
[M-H]- 437.02766 198.7
[M+Na-2H]- 459.00961 203.2
[M]+ 438.03439 199.3
[M]- 438.03549 199.3
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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