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 161.4
[M+Na]+ 316.03469 169.9
[M-H]- 292.03819 165.0
[M+NH4]+ 311.07929 175.6
[M+K]+ 332.00863 164.3
[M+H-H2O]+ 276.04273 155.7
[M+HCOO]- 338.04367 177.8
[M+CH3COO]- 352.05932 196.9
[M+Na-2H]- 314.02014 164.1
[M]+ 293.04492 162.6
[M]- 293.04602 162.6
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.