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
1
Annotation Hits

0
References

3921
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

literature stripe

Patent stripe

patents stripe