CID 54543233

N-(2-hydroxymethyl-3-chloro-4-hydroxyphenyl)anthranilic acid

Structural Information

Molecular Formula
C14H12ClNO4
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=C(C(=C(C=C2)O)Cl)CO
InChI
InChI=1S/C14H12ClNO4/c15-13-9(7-17)11(5-6-12(13)18)16-10-4-2-1-3-8(10)14(19)20/h1-6,16-18H,7H2,(H,19,20)
InChIKey
ZESDLTOKUCGKGS-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-hydroxy-2-(hydroxymethyl)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.04547 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05275 163.3
[M+Na]+ 316.03469 176.4
[M+NH4]+ 311.07929 169.9
[M+K]+ 332.00863 170.7
[M-H]- 292.03819 165.9
[M+Na-2H]- 314.02014 169.7
[M]+ 293.04492 166.0
[M]- 293.04602 166.0
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.

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No patent data available for this compound.