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
7
Annotation Hits

34
References

39019
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 182.3
[M+Na]+ 390.09237 189.4
[M-H]- 366.09587 183.6
[M+NH4]+ 385.13697 193.0
[M+K]+ 406.06631 185.8
[M+H-H2O]+ 350.10041 170.8
[M+HCOO]- 412.10135 198.4
[M+CH3COO]- 426.11700 213.6
[M+Na-2H]- 388.07782 183.6
[M]+ 367.10260 183.0
[M]- 367.10370 183.0
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