CID 13259415

2-(2,3-dichlorophenoxy)propanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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 143.1
[M+Na]+ 256.97427 156.6
[M+NH4]+ 252.01887 151.1
[M+K]+ 272.94821 150.8
[M-H]- 232.97777 143.8
[M+Na-2H]- 254.95972 148.9
[M]+ 233.98450 145.7
[M]- 233.98560 145.7
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

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