CID 39985

Diclofop-methyl

Structural Information

Molecular Formula

C₁₆H₁₄Cl₂O₄

SMILES

CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3

InChIKey

BACHBFVBHLGWSL-UHFFFAOYSA-N

Compound name

methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 92
References: 20088
Patents: 340.02692 Da
Monoisotopic Mass: 4.8
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]+	341.03420	169.8
[M+Na]+	363.01614	179.1
[M-H]-	339.01964	176.4
[M+NH4]+	358.06074	184.9
[M+K]+	378.99008	174.6
[M+H-H2O]+	323.02418	163.9
[M+HCOO]-	385.02512	183.2
[M+CH3COO]-	399.04077	207.8
[M+Na-2H]-	361.00159	171.5
[M]+	340.02637	178.2
[M]-	340.02747	178.2

Literature stripe

literature stripe

Patent stripe

patents stripe