CID 91743

Haloxyfop-etotyl

Structural Information

Molecular Formula
C19H19ClF3NO5
SMILES
CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3
InChIKey
MIJLZGZLQLAQCM-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4195
Patents

433.0904 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.09768 193.6
[M+Na]+ 456.07962 201.4
[M-H]- 432.08312 195.0
[M+NH4]+ 451.12422 202.7
[M+K]+ 472.05356 197.3
[M+H-H2O]+ 416.08766 182.5
[M+HCOO]- 478.08860 204.9
[M+CH3COO]- 492.10425 224.7
[M+Na-2H]- 454.06507 193.8
[M]+ 433.08985 199.7
[M]- 433.09095 199.7
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