CID 10065052

5,n-dihydroxy diclofenac

Structural Information

Molecular Formula
C14H11Cl2NO4
SMILES
C1=CC(=C(C(=C1)Cl)N(C2=C(C=C(C=C2)O)CC(=O)O)O)Cl
InChI
InChI=1S/C14H11Cl2NO4/c15-10-2-1-3-11(16)14(10)17(21)12-5-4-9(18)6-8(12)7-13(19)20/h1-6,18,21H,7H2,(H,19,20)
InChIKey
KPXTUWFWKOJDLM-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dichloro-N-hydroxyanilino)-5-hydroxyphenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

327.0065 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.01378 168.2
[M+Na]+ 349.99572 182.0
[M+NH4]+ 345.04032 175.2
[M+K]+ 365.96966 176.1
[M-H]- 325.99922 171.0
[M+Na-2H]- 347.98117 174.9
[M]+ 327.00595 171.5
[M]- 327.00705 171.5
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.