CID 65394

Fenclofenac

Structural Information

Molecular Formula
C14H10Cl2O3
SMILES
C1=CC=C(C(=C1)CC(=O)O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2O3/c15-10-5-6-13(11(16)8-10)19-12-4-2-1-3-9(12)7-14(17)18/h1-6,8H,7H2,(H,17,18)
InChIKey
IDKAXRLETRCXKS-UHFFFAOYSA-N
Compound name
2-[2-(2,4-dichlorophenoxy)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

70
References

17611
Patents

296.0007 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00798 160.7
[M+Na]+ 318.98992 176.9
[M+NH4]+ 314.03452 169.3
[M+K]+ 334.96386 168.7
[M-H]- 294.99342 164.4
[M+Na-2H]- 316.97537 169.4
[M]+ 296.00015 164.8
[M]- 296.00125 164.8
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