CID 8609

Phenyl 4-aminosalicylate

Structural Information

Molecular Formula

C₁₃H₁₁NO₃

SMILES

C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O

InChI

InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2

InChIKey

DNVVZWSVACQWJE-UHFFFAOYSA-N

Compound name

phenyl 4-amino-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 14
References: 2094
Patents: 229.0739 Da
Monoisotopic Mass: 3.2
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]+	230.081176	148.9
[M+Na]+	252.063118	156.4
[M-H]-	228.066624	154.4
[M+NH4]+	247.107723	165.5
[M+K]+	268.037058	153.1
[M+H-H2O]+	212.071160	141.7
[M+HCOO]-	274.072101	172.4
[M+CH3COO]-	288.087751	188.7
[M+Na-2H]-	250.048566	153.7
[M]+	229.07335142	147.7
[M]-	229.07444858	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe