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
2
Annotation Hits

8
References

113
Patents

219.9694 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.976676 137.1
[M+Na]+ 242.958618 147.4
[M-H]- 218.962124 139.5
[M+NH4]+ 238.003223 156.5
[M+K]+ 258.932558 142.9
[M+H-H2O]+ 202.966660 133.9
[M+HCOO]- 264.967601 150.9
[M+CH3COO]- 278.983251 182.6
[M+Na-2H]- 240.944066 141.8
[M]+ 219.96885142 141.6
[M]- 219.96994858 141.6
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