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

1042
Patents

233.98505 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992326 141.6
[M+Na]+ 256.974268 152.1
[M-H]- 232.977774 145.3
[M+NH4]+ 252.018873 161.3
[M+K]+ 272.948208 148.2
[M+H-H2O]+ 216.982310 138.0
[M+HCOO]- 278.983251 156.6
[M+CH3COO]- 292.998901 187.5
[M+Na-2H]- 254.959716 146.3
[M]+ 233.98450142 148.3
[M]- 233.98559858 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

literature stripe

Patent stripe

patents stripe