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 158.4
[M+Na]+ 318.98992 167.3
[M-H]- 294.99342 163.5
[M+NH4]+ 314.03452 174.3
[M+K]+ 334.96386 161.6
[M+H-H2O]+ 278.99796 153.2
[M+HCOO]- 340.99890 170.7
[M+CH3COO]- 355.01455 197.0
[M+Na-2H]- 316.97537 161.3
[M]+ 296.00015 162.5
[M]- 296.00125 162.5
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.