CID 11332

2-(2,6-dichlorophenoxy)acetic acid

Structural Information

Molecular Formula
C8H6Cl2O3
SMILES
C1=CC(=C(C(=C1)Cl)OCC(=O)O)Cl
InChI
InChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)
InChIKey
KHZWIIFEFQBNKL-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

47
Patents

219.9694 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97668 138.6
[M+Na]+ 242.95862 152.5
[M+NH4]+ 238.00322 146.8
[M+K]+ 258.93256 146.2
[M-H]- 218.96212 139.5
[M+Na-2H]- 240.94407 144.9
[M]+ 219.96885 141.3
[M]- 219.96995 141.3
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