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
2
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 165.9
[M+Na]+ 349.99572 175.7
[M-H]- 325.99922 169.2
[M+NH4]+ 345.04032 179.6
[M+K]+ 365.96966 169.0
[M+H-H2O]+ 310.00376 161.4
[M+HCOO]- 372.00470 177.4
[M+CH3COO]- 386.02035 202.5
[M+Na-2H]- 347.98117 167.3
[M]+ 327.00595 168.9
[M]- 327.00705 168.9
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.