CID 54745

Fluroxypyr-meptyl

Structural Information

Molecular Formula
C15H21Cl2FN2O3
SMILES
CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F
InChI
InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)
InChIKey
OLZQTUCTGLHFTQ-UHFFFAOYSA-N
Compound name
octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

7392
Patents

366.09134 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09862 179.4
[M+Na]+ 389.08056 187.8
[M-H]- 365.08406 179.4
[M+NH4]+ 384.12516 192.2
[M+K]+ 405.05450 182.4
[M+H-H2O]+ 349.08860 172.7
[M+HCOO]- 411.08954 189.5
[M+CH3COO]- 425.10519 217.7
[M+Na-2H]- 387.06601 177.1
[M]+ 366.09079 186.2
[M]- 366.09189 186.2
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