CID 3052566

5-hydroxydiclofenac

Structural Information

Molecular Formula
C14H11Cl2NO3
SMILES
C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)O)Cl
InChI
InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)
InChIKey
VNQURRWYKFZKJZ-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

35
References

82
Patents

311.0116 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01888 163.7
[M+Na]+ 334.00082 173.2
[M-H]- 310.00432 167.9
[M+NH4]+ 329.04542 178.5
[M+K]+ 349.97476 166.4
[M+H-H2O]+ 294.00886 158.8
[M+HCOO]- 356.00980 176.5
[M+CH3COO]- 370.02545 201.2
[M+Na-2H]- 331.98627 166.1
[M]+ 311.01105 166.7
[M]- 311.01215 166.7
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.