CID 1488

1928-38-7

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
COC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3
InChIKey
HWIGZMADSFQMOI-UHFFFAOYSA-N
Compound name
methyl 2-(2,4-dichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

1040
Patents

233.98505 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99233 141.6
[M+Na]+ 256.97427 152.1
[M-H]- 232.97777 145.3
[M+NH4]+ 252.01887 161.3
[M+K]+ 272.94821 148.2
[M+H-H2O]+ 216.98231 138.0
[M+HCOO]- 278.98325 156.6
[M+CH3COO]- 292.99890 187.5
[M+Na-2H]- 254.95972 146.3
[M]+ 233.98450 148.3
[M]- 233.98560 148.3
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.