CID 248472

2-(2,4,6-trichlorophenoxy)propanoic acid

Structural Information

Molecular Formula
C9H7Cl3O3
SMILES
CC(C(=O)O)OC1=C(C=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-6(11)2-5(10)3-7(8)12/h2-4H,1H3,(H,13,14)
InChIKey
HNDLJIIQWDVRRI-UHFFFAOYSA-N
Compound name
2-(2,4,6-trichlorophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

267.94608 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.953356 145.2
[M+Na]+ 290.935298 155.6
[M-H]- 266.938804 146.8
[M+NH4]+ 285.979903 162.9
[M+K]+ 306.909238 150.6
[M+H-H2O]+ 250.943340 143.1
[M+HCOO]- 312.944281 152.4
[M+CH3COO]- 326.959931 193.0
[M+Na-2H]- 288.920746 146.8
[M]+ 267.94553142 150.1
[M]- 267.94662858 150.1
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.