CID 116545

4'-hydroxydiclofenac

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO₃

SMILES

C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl

InChI

InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)

InChIKey

KGVXVPRLBMWZLG-UHFFFAOYSA-N

Compound name

2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 75
References: 753
Patents: 311.0116 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	312.01888	165.8
[M+Na]+	334.00082	180.5
[M+NH4]+	329.04542	173.5
[M+K]+	349.97476	173.2
[M-H]-	310.00432	169.2
[M+Na-2H]-	331.98627	173.2
[M]+	311.01105	169.4
[M]-	311.01215	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe