CID 81070

Dicamba-methyl

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

2345
Patents

233.98505 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.