CID 11285653

Picoxystrobin

Structural Information

Molecular Formula
C18H16F3NO4
SMILES
CO/C=C(\C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)/C(=O)OC
InChI
InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+
InChIKey
IBSNKSODLGJUMQ-SDNWHVSQSA-N
Compound name
methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

34
References

37302
Patents

367.10315 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11043 185.4
[M+Na]+ 390.09237 194.3
[M+NH4]+ 385.13697 188.3
[M+K]+ 406.06631 189.4
[M-H]- 366.09587 182.2
[M+Na-2H]- 388.07782 189.2
[M]+ 367.10260 185.4
[M]- 367.10370 185.4
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

patents stripe