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)-2-pyridinyl]oxymethyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

34
References

40310
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.