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-fluoro-2-pyridinyl)oxy]acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

7496
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.