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
3
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 165.2
[M+Na]+ 349.99572 174.3
[M-H]- 325.99922 169.6
[M+NH4]+ 345.04032 179.2
[M+K]+ 365.96966 168.8
[M+H-H2O]+ 310.00376 160.3
[M+HCOO]- 372.00470 177.3
[M+CH3COO]- 386.02035 204.4
[M+Na-2H]- 347.98117 166.7
[M]+ 327.00595 169.1
[M]- 327.00705 169.1
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.