CID 38687

Diclofop

Structural Information

Molecular Formula

C₁₅H₁₂Cl₂O₄

SMILES

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

InChI

InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)

InChIKey

OOLBCHYXZDXLDS-UHFFFAOYSA-N

Compound name

2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 41
References: 18393
Patents: 326.01126 Da
Monoisotopic Mass: 5.0
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]+	327.01854	164.9
[M+Na]+	349.00048	174.1
[M-H]-	325.00398	170.3
[M+NH4]+	344.04508	179.8
[M+K]+	364.97442	169.0
[M+H-H2O]+	309.00852	159.6
[M+HCOO]-	371.00946	177.1
[M+CH3COO]-	385.02511	203.2
[M+Na-2H]-	346.98593	166.8
[M]+	326.01071	171.3
[M]-	326.01181	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe