CID 8427

Dichlorprop

Structural Information

Molecular Formula

C₉H₈Cl₂O₃

SMILES

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

InChI

InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)

InChIKey

MZHCENGPTKEIGP-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenoxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 172
References: 25978
Patents: 233.98505 Da
Monoisotopic Mass: 3.4
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]+	234.99233	141.0
[M+Na]+	256.97427	150.8
[M-H]-	232.97777	143.4
[M+NH4]+	252.01887	159.9
[M+K]+	272.94821	146.5
[M+H-H2O]+	216.98231	137.9
[M+HCOO]-	278.98325	153.6
[M+CH3COO]-	292.99890	186.5
[M+Na-2H]-	254.95972	144.1
[M]+	233.98450	145.5
[M]-	233.98560	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe