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
4
Annotation Hits

7
References

1231
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 142.6
[M+Na]+ 256.97427 156.9
[M+NH4]+ 252.01887 151.0
[M+K]+ 272.94821 150.0
[M-H]- 232.97777 144.0
[M+Na-2H]- 254.95972 149.3
[M]+ 233.98450 145.6
[M]- 233.98560 145.6
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