CID 81070

Dicamba methyl ester

Structural Information

Molecular Formula

C₉H₈Cl₂O₃

SMILES

COC1=C(C=CC(=C1C(=O)OC)Cl)Cl

InChI

InChI=1S/C9H8Cl2O3/c1-13-8-6(11)4-3-5(10)7(8)9(12)14-2/h3-4H,1-2H3

InChIKey

AWSBKDYHGOOSML-UHFFFAOYSA-N

Compound name

methyl 3,6-dichloro-2-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2459
Patents: 233.98505 Da
Monoisotopic Mass: 2.5
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	140.7
[M+Na]+	256.97427	152.1
[M-H]-	232.97777	144.8
[M+NH4]+	252.01887	160.7
[M+K]+	272.94821	148.3
[M+H-H2O]+	216.98231	137.4
[M+HCOO]-	278.98325	155.7
[M+CH3COO]-	292.99890	188.7
[M+Na-2H]-	254.95972	144.8
[M]+	233.98450	147.8
[M]-	233.98560	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe