CID 139597010

Picoxystrobin metabolite 2

Structural Information

Molecular Formula
C17H16F3NO3
SMILES
CCC(C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C17H16F3NO3/c1-2-12(16(22)23)13-7-4-3-6-11(13)10-24-15-9-5-8-14(21-15)17(18,19)20/h3-9,12H,2,10H2,1H3,(H,22,23)
InChIKey
RYWAZELNEFSEPU-UHFFFAOYSA-N
Compound name
2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

339.10822 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11550 175.7
[M+Na]+ 362.09744 182.5
[M-H]- 338.10094 175.6
[M+NH4]+ 357.14204 186.7
[M+K]+ 378.07138 178.1
[M+H-H2O]+ 322.10548 164.7
[M+HCOO]- 384.10642 190.1
[M+CH3COO]- 398.12207 208.2
[M+Na-2H]- 360.08289 176.9
[M]+ 339.10767 173.6
[M]- 339.10877 173.6
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.