CID 67420724

Florpyrauxifen

Structural Information

Molecular Formula
C13H8Cl2F2N2O3
SMILES
COC1=C(C=CC(=C1F)C2=NC(=C(C(=C2F)N)Cl)C(=O)O)Cl
InChI
InChI=1S/C13H8Cl2F2N2O3/c1-22-12-5(14)3-2-4(7(12)16)10-8(17)9(18)6(15)11(19-10)13(20)21/h2-3H,1H3,(H2,18,19)(H,20,21)
InChIKey
XFZUQTKDBCOXPP-UHFFFAOYSA-N
Compound name
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3643
Patents

347.988 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.99528 167.6
[M+Na]+ 370.97722 180.6
[M-H]- 346.98072 169.8
[M+NH4]+ 366.02182 180.7
[M+K]+ 386.95116 173.9
[M+H-H2O]+ 330.98526 160.3
[M+HCOO]- 392.98620 178.1
[M+CH3COO]- 407.00185 211.8
[M+Na-2H]- 368.96267 166.9
[M]+ 347.98745 170.6
[M]- 347.98855 170.6
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.