CID 47455

Triclopyr-butotyl

Structural Information

Molecular Formula
C13H16Cl3NO4
SMILES
CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3
InChIKey
IVDRCZNHVGQBHZ-UHFFFAOYSA-N
Compound name
2-butoxyethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

9
References

3385
Patents

355.0145 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.02178 169.7
[M+Na]+ 378.00372 178.9
[M-H]- 354.00722 170.4
[M+NH4]+ 373.04832 183.4
[M+K]+ 393.97766 174.1
[M+H-H2O]+ 338.01176 164.7
[M+HCOO]- 400.01270 176.8
[M+CH3COO]- 414.02835 209.6
[M+Na-2H]- 375.98917 170.9
[M]+ 355.01395 179.8
[M]- 355.01505 179.8
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.