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]+ 297.007976 158.4
[M+Na]+ 318.989918 167.3
[M-H]- 294.993424 163.5
[M+NH4]+ 314.034523 174.3
[M+K]+ 334.963858 161.6
[M+H-H2O]+ 278.997960 153.2
[M+HCOO]- 340.998901 170.7
[M+CH3COO]- 355.014551 197.0
[M+Na-2H]- 316.975366 161.3
[M]+ 296.00015142 162.5
[M]- 296.00124858 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.