CID 138394697

Picoxystrobin metabolite m8

Structural Information

Molecular Formula
C14H10F3NO3
SMILES
C1=CC=C(C(=C1)COC2=CC=CC(=N2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C14H10F3NO3/c15-14(16,17)11-6-3-7-12(18-11)21-8-9-4-1-2-5-10(9)13(19)20/h1-7H,8H2,(H,19,20)
InChIKey
SCASTWHLUHBICN-UHFFFAOYSA-N
Compound name
2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

297.06128 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06856 162.2
[M+Na]+ 320.05050 170.7
[M-H]- 296.05400 162.7
[M+NH4]+ 315.09510 175.1
[M+K]+ 336.02444 166.4
[M+H-H2O]+ 280.05854 151.8
[M+HCOO]- 342.05948 178.7
[M+CH3COO]- 356.07513 198.4
[M+Na-2H]- 318.03595 166.2
[M]+ 297.06073 159.7
[M]- 297.06183 159.7
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.