CID 18704

2-(3,4-dichlorophenoxy)propanoic acid

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
CC(C(=O)O)OC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H,12,13)
InChIKey
BIPAGODSEBNAJR-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

901
Patents

233.98505 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992326 141.0
[M+Na]+ 256.974268 150.8
[M-H]- 232.977774 143.4
[M+NH4]+ 252.018873 159.9
[M+K]+ 272.948208 146.5
[M+H-H2O]+ 216.982310 137.9
[M+HCOO]- 278.983251 153.6
[M+CH3COO]- 292.998901 186.5
[M+Na-2H]- 254.959716 144.1
[M]+ 233.98450142 145.5
[M]- 233.98559858 145.5
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