CID 155294

Fluazifop-methyl

Structural Information

Molecular Formula

C₁₆H₁₄F₃NO₄

SMILES

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

InChI

InChI=1S/C16H14F3NO4/c1-10(15(21)22-2)23-12-4-6-13(7-5-12)24-14-8-3-11(9-20-14)16(17,18)19/h3-10H,1-2H3

InChIKey

IAUMNRCGDHLAMJ-UHFFFAOYSA-N

Compound name

methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1336
Patents: 341.0875 Da
Monoisotopic Mass: 3.2
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]+	342.094776	174.0
[M+Na]+	364.076718	181.6
[M-H]-	340.080224	175.6
[M+NH4]+	359.121323	185.7
[M+K]+	380.050658	179.0
[M+H-H2O]+	324.084760	162.8
[M+HCOO]-	386.085701	190.5
[M+CH3COO]-	400.101351	209.1
[M+Na-2H]-	362.062166	176.4
[M]+	341.08695142	174.8
[M]-	341.08804858	174.8

Literature stripe

literature stripe

Patent stripe

patents stripe