CID 20985312

2-(2,3-dichlorophenoxy)-2-phenylacetic acid

Structural Information

Molecular Formula
C14H10Cl2O3
SMILES
C1=CC=C(C=C1)C(C(=O)O)OC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2O3/c15-10-7-4-8-11(12(10)16)19-13(14(17)18)9-5-2-1-3-6-9/h1-8,13H,(H,17,18)
InChIKey
KVZZXAUDEDBEOL-UHFFFAOYSA-N
Compound name
2-(2,3-dichlorophenoxy)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0007 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00798 160.8
[M+Na]+ 318.98992 176.2
[M+NH4]+ 314.03452 169.2
[M+K]+ 334.96386 168.7
[M-H]- 294.99342 164.3
[M+Na-2H]- 316.97537 169.4
[M]+ 296.00015 164.7
[M]- 296.00125 164.7
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.