CID 91701

Fluazifop

Structural Information

Molecular Formula

C₁₅H₁₂F₃NO₄

SMILES

CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)

InChIKey

YUVKUEAFAVKILW-UHFFFAOYSA-N

Compound name

2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 44
References: 26714
Patents: 327.07184 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	328.07912	169.2
[M+Na]+	350.06106	176.7
[M-H]-	326.06456	169.5
[M+NH4]+	345.10566	180.7
[M+K]+	366.03500	173.5
[M+H-H2O]+	310.06910	158.5
[M+HCOO]-	372.07004	184.6
[M+CH3COO]-	386.08569	204.4
[M+Na-2H]-	348.04651	171.7
[M]+	327.07129	167.9
[M]-	327.07239	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe