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

864
Patents

233.98505 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99233 141.0
[M+Na]+ 256.97427 150.8
[M-H]- 232.97777 143.4
[M+NH4]+ 252.01887 159.9
[M+K]+ 272.94821 146.5
[M+H-H2O]+ 216.98231 137.9
[M+HCOO]- 278.98325 153.6
[M+CH3COO]- 292.99890 186.5
[M+Na-2H]- 254.95972 144.1
[M]+ 233.98450 145.5
[M]- 233.98560 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.