CID 139595124

Picoxystrobin metabolite 13

Structural Information

Molecular Formula
C16H12F3NO4
SMILES
COC(=O)C(=O)C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F
InChI
InChI=1S/C16H12F3NO4/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/h2-8H,9H2,1H3
InChIKey
GRFKRBCWAZSCTM-UHFFFAOYSA-N
Compound name
methyl 2-oxo-2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

339.07184 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.07912 172.7
[M+Na]+ 362.06106 180.6
[M-H]- 338.06456 174.3
[M+NH4]+ 357.10566 184.4
[M+K]+ 378.03500 177.4
[M+H-H2O]+ 322.06910 161.5
[M+HCOO]- 384.07004 189.4
[M+CH3COO]- 398.08569 208.3
[M+Na-2H]- 360.04651 175.1
[M]+ 339.07129 172.7
[M]- 339.07239 172.7
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.