CID 50896

Haloxyfop-methyl

Structural Information

Molecular Formula
C16H13ClF3NO4
SMILES
CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3
InChIKey
MFSWTRQUCLNFOM-UHFFFAOYSA-N
Compound name
methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

13820
Patents

375.04852 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.05580 180.7
[M+Na]+ 398.03774 190.8
[M+NH4]+ 393.08234 184.4
[M+K]+ 414.01168 186.0
[M-H]- 374.04124 177.9
[M+Na-2H]- 396.02319 185.0
[M]+ 375.04797 181.3
[M]- 375.04907 181.3
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