CID 3030

Dicamba

Structural Information

Molecular Formula

C₈H₆Cl₂O₃

SMILES

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

InChI

InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)

InChIKey

IWEDIXLBFLAXBO-UHFFFAOYSA-N

Compound name

3,6-dichloro-2-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 349
References: 68553
Patents: 219.9694 Da
Monoisotopic Mass: 2.2
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]+	220.97668	138.2
[M+Na]+	242.95862	152.6
[M+NH4]+	238.00322	146.5
[M+K]+	258.93256	146.4
[M-H]-	218.96212	139.2
[M+Na-2H]-	240.94407	144.4
[M]+	219.96885	141.1
[M]-	219.96995	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe