CID 166624733

3',4'-hydroxydiclofenac

Structural Information

Molecular Formula
C14H11Cl2NO4
SMILES
C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C(=C2Cl)O)O)Cl
InChI
InChI=1S/C14H11Cl2NO4/c15-8-6-10(18)14(21)12(16)13(8)17-9-4-2-1-3-7(9)5-11(19)20/h1-4,6,17-18,21H,5H2,(H,19,20)
InChIKey
WCLLGWABZKZLLL-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dichloro-3,4-dihydroxyanilino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0065 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.01378 168.8
[M+Na]+ 349.99572 182.8
[M+NH4]+ 345.04032 175.5
[M+K]+ 365.96966 176.5
[M-H]- 325.99922 171.3
[M+Na-2H]- 347.98117 175.0
[M]+ 327.00595 172.0
[M]- 327.00705 172.0
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

No patent data available for this compound.