CID 138394699

Picoxystrobin metabolite 12

Structural Information

Molecular Formula
C16H14F3NO4
SMILES
COC(=O)C(C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)O
InChI
InChI=1S/C16H14F3NO4/c1-23-15(22)14(21)11-6-3-2-5-10(11)9-24-13-8-4-7-12(20-13)16(17,18)19/h2-8,14,21H,9H2,1H3
InChIKey
BYVRNZHDJMVRCZ-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

341.0875 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09478 174.2
[M+Na]+ 364.07672 181.3
[M-H]- 340.08022 174.3
[M+NH4]+ 359.12132 185.1
[M+K]+ 380.05066 177.9
[M+H-H2O]+ 324.08476 163.2
[M+HCOO]- 386.08570 189.2
[M+CH3COO]- 400.10135 206.7
[M+Na-2H]- 362.06217 176.1
[M]+ 341.08695 173.1
[M]- 341.08805 173.1
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

No patent data available for this compound.