CID 205082

17332-57-9

Structural Information

Molecular Formula

C₁₄H₁₁NO₄

SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H11NO4/c16-13(17)9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)

InChIKey

GWHPRNJPEJWLMA-UHFFFAOYSA-N

Compound name

2-(4-carboxyanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 257.06882 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.076096	154.8
[M+Na]+	280.058038	161.1
[M-H]-	256.061544	159.2
[M+NH4]+	275.102643	169.4
[M+K]+	296.031978	157.8
[M+H-H2O]+	240.066080	147.5
[M+HCOO]-	302.067021	176.4
[M+CH3COO]-	316.082671	193.0
[M+Na-2H]-	278.043486	158.5
[M]+	257.06827142	153.3
[M]-	257.06936858	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe