CID 3083546

Flufenpyr-ethyl

Structural Information

Molecular Formula
C16H13ClF4N2O4
SMILES
CCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)C(=C(C=N2)C(F)(F)F)C)F)Cl
InChI
InChI=1S/C16H13ClF4N2O4/c1-3-26-14(24)7-27-13-5-12(11(18)4-10(13)17)23-15(25)8(2)9(6-22-23)16(19,20)21/h4-6H,3,7H2,1-2H3
InChIKey
DNUAYCRATWAJQE-UHFFFAOYSA-N
Compound name
ethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

11717
Patents

408.05 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.05728 184.0
[M+Na]+ 431.03922 196.4
[M-H]- 407.04272 184.1
[M+NH4]+ 426.08382 193.6
[M+K]+ 447.01316 190.6
[M+H-H2O]+ 391.04726 172.3
[M+HCOO]- 453.04820 194.6
[M+CH3COO]- 467.06385 221.6
[M+Na-2H]- 429.02467 184.0
[M]+ 408.04945 187.8
[M]- 408.05055 187.8
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