CID 182951

Pyraflufen-ethyl

Structural Information

Molecular Formula
C15H13Cl2F3N2O4
SMILES
CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl
InChI
InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3
InChIKey
APTZNLHMIGJTEW-UHFFFAOYSA-N
Compound name
ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

61044
Patents

412.02045 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.02773 183.8
[M+Na]+ 435.00967 193.5
[M+NH4]+ 430.05427 186.8
[M+K]+ 450.98361 190.3
[M-H]- 411.01317 180.0
[M+Na-2H]- 432.99512 185.7
[M]+ 412.01990 184.1
[M]- 412.02100 184.1
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