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)-2-pyridinyl]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]+ 340.115496 175.7
[M+Na]+ 362.097438 182.5
[M-H]- 338.100944 175.6
[M+NH4]+ 357.142043 186.7
[M+K]+ 378.071378 178.1
[M+H-H2O]+ 322.105480 164.7
[M+HCOO]- 384.106421 190.1
[M+CH3COO]- 398.122071 208.2
[M+Na-2H]- 360.082886 176.9
[M]+ 339.10767142 173.6
[M]- 339.10876858 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.