CID 11664966

Trifloxystrobin

Structural Information

Molecular Formula
C20H19F3N2O4
SMILES
C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
InChIKey
ONCZDRURRATYFI-TVJDWZFNSA-N
Compound name
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

133
References

46313
Patents

408.1297 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13698 193.8
[M+Na]+ 431.11892 199.1
[M-H]- 407.12242 198.7
[M+NH4]+ 426.16352 204.6
[M+K]+ 447.09286 197.1
[M+H-H2O]+ 391.12696 181.6
[M+HCOO]- 453.12790 214.7
[M+CH3COO]- 467.14355 231.3
[M+Na-2H]- 429.10437 194.6
[M]+ 408.12915 195.5
[M]- 408.13025 195.5
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.